SCHEMBL4916435

SCHEMBL4916435

O=[N+]([O-])c1cc(OC(F)(F)F)ccc1Nc1ncnc2nc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.44
▸ TNNI3K Q59H18 2/20 0.43
▸ EIF2AK2 P19525 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.42
▸ BRAF P15056 2/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TOP2A P11388 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4916427 0.84 KCNMA1 (0.41) TNNI3KEIF2AK2SMN1; SMN2HTTMAPT
SCHEMBL4920200 0.83 MKNK1 (0.56) HSD17B10TNNI3KBRD4MKNK1BRAF
SCHEMBL4922457 0.82 RAB9A (0.48) HSD17B10TNNI3KEIF2AK2BRD4MKNK1
SCHEMBL4914237 0.82 HSD17B10 (0.57) HSD17B10TNNI3KEIF2AK2BRD4MKNK1
SCHEMBL4921896 0.78 HSD17B10 (0.50) HSD17B10TNNI3KBRD4MKNK1BRAF
SCHEMBL4923721 0.77 EIF2AK2 (0.68) HSD17B10EIF2AK2MKNK1BRAFRAB9A
SCHEMBL4924689 0.75 RAB9A (0.72) HSD17B10TNNI3KEIF2AK2MKNK1BRAF
SCHEMBL4921915 0.74 BRD4 (0.48) HSD17B10TNNI3KBRD4MKNK1BRAF
SCHEMBL4922473 0.73 HSD17B10 (0.48) HSD17B10TNNI3KBRD4MKNK1BRAF
SCHEMBL4923971 0.73 BRD4 (0.61) HSD17B10TNNI3KBRD4MKNK1BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 — — US claimed
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 — — CN claimed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 — — EP claimed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 — — WO claimed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 — — US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 — — US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 — — US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 — — US disclosed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 — — EP disclosed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 HSD17B10 4494/4885TNNI3K 2011/4885EIF2AK2 1702/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 HSD17B10 4365/4885TNNI3K 1841/4885EIF2AK2 1408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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