SCHEMBL2113629

SCHEMBL2113629

CN(C)CCc1cnc(Nc2cccc(F)c2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TP53 P04637 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC7 O00311 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 3/20 0.45
RAD52 P43351 1/20 0.44

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
SCHEMBL2115697 0.93 KMT2A (0.45) KMT2AMEN1TP53TAAR1KDM4E
SCHEMBL2114912 0.92 KMT2A (0.44) KMT2AMEN1TP53TAAR1KDM4E
SCHEMBL2114995 0.87 AURKA (0.49) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2113390 0.85 NPC1 (0.52) KMT2AMEN1TP53TAAR1NPC1
SCHEMBL5522576 0.84 KMT2A (0.43) KMT2AMEN1TP53TAAR1KDM4E
SCHEMBL2117595 0.82 TAAR1 (0.47) TAAR1SYKCCNT1CDK9CCNE1
SCHEMBL2114730 0.81 DHFR (0.42) TAAR1NPC1RAB9ACCNT1CDK9
SCHEMBL2114095 0.81 POLB (0.41) TAAR1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2117618 0.81 L3MBTL1 (0.50) KMT2AMEN1TP53TAAR1KDM4E
SCHEMBL5520429 0.81 AURKA (0.47) TP53NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KMT2A 1889/4885MEN1 4847/4885TP53 3322/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KMT2A 1889/4885MEN1 4847/4885TP53 3322/4885

“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.