SCHEMBL2117618

SCHEMBL2117618

Cc1ccc(Nc2ncc(CCN(C)C)c(N)n2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
STK17A Q9UEE5 4/20 0.47
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
STK17B O94768 2/20 0.45
JAK2 O60674 1/20 0.44
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
ULK1 O75385 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
CDK1 P06493 4/20 0.39
KDR P35968 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL2115181 0.93 STK17A (0.48) L3MBTL1KDM4EGAASTK17AKMT2A
SCHEMBL2114842 0.92 STK17A (0.47) L3MBTL1KDM4EGAASTK17AKMT2A
SCHEMBL2114974 0.86 RAB9A (0.47) NPC1RAB9AJAK2MAPTCDK1
SCHEMBL5527171 0.85 L3MBTL1 (0.47) L3MBTL1KDM4EGAASTK17AKMT2A
SCHEMBL2114995 0.84 AURKA (0.49) L3MBTL1NPC1RAB9AMAPTTP53
SCHEMBL2113390 0.82 NPC1 (0.52) GAASTK17AKMT2ANPC1RAB9A
SCHEMBL2115678 0.82 NPC1 (0.46) GAAKMT2ANPC1RAB9AMAPT
SCHEMBL2113629 0.81 KMT2A (0.46) L3MBTL1KDM4EKMT2ANPC1RAB9A
SCHEMBL2115272 0.80 TNK2 (0.42) KMT2ATAAR1MAPTCDK1KDR
SCHEMBL2114090 0.80 RAB9A (0.44) L3MBTL1KMT2ANPC1RAB9ALMNA

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 L3MBTL1 3888/4885KDM4E 841/4885GAA 3929/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG L3MBTL1 3888/4885KDM4E 841/4885GAA 3929/4885

“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.