SCHEMBL2113595

SCHEMBL2113595

CN(C)CCCc1cnc(Nc2ccccc2Cl)nc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.44
TNK2 Q07912 2/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
TSHR P16473 1/20 0.40
ULK1 O75385 1/20 0.39
PLK1 P53350 2/20 0.39
DHFR P00374 1/20 0.39
PTK2 Q05397 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2113295 0.97 IGF1R (0.43) IGF1RTNK2AURKAAURKBTSHR
SCHEMBL2115650 0.93 IGF1R (0.46) IGF1RTNK2AURKAAURKBTSHR
SCHEMBL2114726 0.91 LMNA (0.48) IGF1RTNK2PLK1PDGFRBKIT
SCHEMBL2113363 0.88 LMNA (0.47) IGF1RTNK2PLK1FGFR1KDR
SCHEMBL2113867 0.87 TNK2 (0.46) TNK2PLK1HDAC3HDAC1HDAC2
SCHEMBL2115703 0.87 HTT (0.47) TNK2PTK2NPC1RAB9ASMN1; SMN2
SCHEMBL2116812 0.86 PLK1 (0.43) TSHRPLK1PDGFRBKITFGFR1
SCHEMBL2112977 0.86 PLK1 (0.49) IGF1RTNK2AURKBPLK1DHFR
SCHEMBL2113341 0.86 TAAR1 (0.40) IGF1RPLK1PTK2PDGFRBKDR
SCHEMBL2114805 0.84 TNK2 (0.46) TNK2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032543-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP claimed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO claimed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
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 IGF1R 4009/4885TNK2 195/4885AURKA 204/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG IGF1R 4009/4885TNK2 195/4885AURKA 204/4885

“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.