SCHEMBL4173589

SCHEMBL4173589

Cc1nc(N(C)c2ccc(Cl)cc2)sc1C(=O)C=CN(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
ALDH1A1 P00352 10/20 0.55
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
NPC1 O15118 6/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.44
POLB P06746 5/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 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
SCHEMBL4166440 0.88 MAPT (0.52) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20452290 0.88 ALDH1A1 (0.65) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4161700 0.80 RAB9A (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4159119 0.79 ALDH1A1 (0.58) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20452073 0.79 ALDH1A1 (0.58) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4161633 0.74 ALDH1A1 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4173588 0.73 PTGS2 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14955176 0.72 ALDH1A1 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2076090 0.72 ALDH1A1 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5159248 0.72 PTGS2 (0.37) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 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 (1 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 MAPT 2054/4885ALDH1A1 2743/4885RAB9A 2128/4885

“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.