SCHEMBL2114095

SCHEMBL2114095

CN(C)CCc1cnc(Nc2ccc(F)cc2F)nc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ZAP70 P43403 1/20 0.39
CSF1R P07333 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MPO P05164 1/20 0.36
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2115369 0.93 POLB (0.40) POLBZAP70CSF1RHRH3MPO
SCHEMBL2115133 0.92 POLB (0.40) POLBZAP70CSF1RHRH3MPO
SCHEMBL2114730 0.91 DHFR (0.42) TAAR1NPC1RAB9AMPODHFR
SCHEMBL2114796 0.86 TAAR1 (0.49) POLBTAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL5535224 0.84 POLB (0.43) POLBZAP70NPC1RAB9ACNR2
SCHEMBL2114966 0.84 DHFR (0.41) MPODHFR
SCHEMBL2115041 0.83 DHFR (0.40) NPC1RAB9AMPOL3MBTL1DHFR
SCHEMBL2113390 0.83 NPC1 (0.52) TAAR1MAPK1GAANPC1RAB9A
SCHEMBL2113279 0.81 TAAR1 (0.43) POLBTAAR1CNR2CCNT1CDK9
SCHEMBL2113629 0.81 KMT2A (0.46) POLBTAAR1NPC1RAB9AKDM4E

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 POLB 2589/4885ZAP70 254/4885CSF1R 4073/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG POLB 2589/4885ZAP70 254/4885CSF1R 4073/4885

“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.