SCHEMBL4922251

SCHEMBL4922251

Clc1cc(Br)ccc1Nc1ncnc2nc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ HTT P42858 5/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ TSHR P16473 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ PKM P14618 1/20 0.55
▸ MKNK1 Q9BUB5 2/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TOP2A P11388 2/20 0.48
▸ BRAF P15056 2/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ TNNI3K Q59H18 2/20 0.46
▸ LCK P06239 1/20 0.46

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
SCHEMBL4921894 0.86 BRD4 (0.72) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4913684 0.86 HSD17B10 (0.56) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4920684 0.84 RAB9A (0.58) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4911882 0.84 MKNK1 (0.67) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4921800 0.84 MKNK1 (0.56) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4924766 0.84 HSD17B10 (0.56) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4915782 0.82 HTT (0.61) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4913536 0.81 HTT (0.61) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL30523409 0.81 HTT (0.61) RAB9ASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL4921641 0.80 MKNK1 (0.73) RAB9ASMN1; SMN2HTTHSD17B10NPC1

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 7 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
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

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 RAB9A 1750/4885SMN1; SMN2 4345/4885HTT 1380/4885
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 RAB9A 1756/4885SMN1; SMN2 3344/4885HTT 1133/4885

“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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