SCHEMBL6797232

SCHEMBL6797232

Clc1cc(-c2ccnc(-c3ccccc3)n2)c(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
KDM4E B2RXH2 4/20 0.50
GAA P10253 1/20 0.50
CYP2A6 P11509 1/20 0.49
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
AURKA O14965 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL4313542 0.78 LMNA (0.63) LMNAKDM4EGAACYP2A6MAPT
SCHEMBL6914696 0.74 CYP2A6 (0.44) LMNAKDM4ECYP2A6MAPTSMN1; SMN2
SCHEMBL197250 0.74 CYP2A6 (0.61) LMNAKDM4ECYP2A6MAPTSMN1; SMN2
SCHEMBL6797536 0.72 CCNB2 (0.56) LMNAKDM4EGAASMN1; SMN2NPC1
SCHEMBL29620532 0.72 AURKA (0.63) KDM4EGAAMAPTSMN1; SMN2NPSR1
SCHEMBL190954 0.72 AURKA (0.63) KDM4EGAAMAPTSMN1; SMN2NPSR1
SCHEMBL30866407 0.72 MAPT (0.45) LMNAKDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL28537366 0.71 KMO (0.63) KDM4EMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL31074804 0.71 GABRA1 (0.49) LMNAKDM4EMAPTSMN1; SMN2NPSR1
Ammonia Solution, Strong SCHEMBL20267253 0.70 AURKA (0.61) KDM4EGAAMAPTSMN1; SMN2NPSR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US claimed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US claimed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP claimed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US claimed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO claimed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 LMNA 1351/4885KDM4E 445/4885GAA 2384/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 LMNA 1351/4885KDM4E 445/4885GAA 2384/4885

“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.