SCHEMBL4916486

SCHEMBL4916486

Clc1cccc(Nc2ncnc3nc[nH]c23)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
HTT P42858 5/20 0.55
LMNA P02545 4/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 4/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 2/20 0.53
GFER P55789 1/20 0.53
MKNK1 Q9BUB5 2/20 0.51
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
TOP2A P11388 2/20 0.49
PIK3CA P42336 1/20 0.48
TNNI3K Q59H18 4/20 0.48
BRAF P15056 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4913536 0.89 HTT (0.61) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL30523409 0.89 HTT (0.61) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4923697 0.87 BRD4 (0.59) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4921502 0.86 SMN1; SMN2 (0.58) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4913001 0.86 MKNK1 (0.56) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4930236 0.84 HTT (0.59) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4911817 0.79 BRD4 (0.59) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4916482 0.79 LMNA (0.49) BRD4HTTLMNAALOX15RAB9A
SCHEMBL4913634 0.78 RAB9A (0.62) BRD4HTTLMNAALOX15HSD17B10
SCHEMBL4920233 0.78 MKNK1 (0.56) BRD4HTTLMNAALOX15HSD17B10

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 9 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
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 BRD4 1578/4885HTT 1380/4885LMNA 1313/4885
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 BRD4 2086/4885HTT 1133/4885LMNA 426/4885

“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.