SCHEMBL2115650

SCHEMBL2115650

CN(C)CCc1cnc(Nc2ccccc2Cl)nc1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
INSR P06213 2/20 0.42
ALK Q9UM73 2/20 0.42
TSHR P16473 1/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 1/20 0.41
ULK1 O75385 1/20 0.41
DHFR P00374 1/20 0.40
CDK1 P06493 3/20 0.40
KDR P35968 3/20 0.40
PTK2 Q05397 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TNK2 Q07912 1/20 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
SCHEMBL2113595 0.93 IGF1R (0.44) IGF1RTSHRAURKAAURKBULK1
SCHEMBL2113295 0.92 IGF1R (0.43) IGF1RTSHRAURKAAURKBULK1
SCHEMBL2114807 0.91 LMNA (0.50) IGF1RTAAR1INSRALKCDK1
SCHEMBL2114996 0.86 HTT (0.49) INSRALKAURKAPTK2
SCHEMBL2113337 0.86 TNK2 (0.44) TAAR1INSRALKCDK1KDR
SCHEMBL2116827 0.86 KDR (0.44) IGF1RINSRALKAURKBDHFR
SCHEMBL2114106 0.86 PIK3CG (0.43) IGF1RINSRALKTSHRCDK1
SCHEMBL2114796 0.85 TAAR1 (0.49) TAAR1INSRALKAURKAPTK2
SCHEMBL2114726 0.84 LMNA (0.48) IGF1RCDK1KDRTNK2
SCHEMBL5522754 0.84 IGF1R (0.43) IGF1RTSHRAURKAULK1DHFR

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 5 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
EP-2032543-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO 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 IGF1R 4009/4885TAAR1 3765/4885INSR 4196/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG IGF1R 4009/4885TAAR1 3765/4885INSR 4196/4885

“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.