SCHEMBL2114796

SCHEMBL2114796

CN(C)CCc1cnc(Nc2ccccc2F)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
AOC3 Q16853 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PTK2 Q05397 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CDK2 P24941 3/20 0.37
CDK4 P11802 2/20 0.37
AURKA O14965 3/20 0.37
CCNA2 P20248 1/20 0.37
PLK1 P53350 1/20 0.37
CCNA1 P78396 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
INSR P06213 1/20 0.36

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
SCHEMBL2113341 0.93 TAAR1 (0.40) TAAR1AOC3MAPTPOLBPTK2
SCHEMBL2115239 0.92 TAAR1 (0.40) TAAR1MAPTPOLBPTK2RAB9A
SCHEMBL2113279 0.91 TAAR1 (0.43) TAAR1AOC3MAPTPOLBCDK2
SCHEMBL2114996 0.86 HTT (0.49) PTK2RAB9ANPC1SMN1; SMN2CDK2
SCHEMBL2117595 0.86 TAAR1 (0.47) TAAR1AOC3CDK2CCNA2CCNA1
SCHEMBL2114730 0.86 DHFR (0.42) TAAR1RAB9ANPC1CDK2CCNA2
SCHEMBL2114095 0.86 POLB (0.41) TAAR1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL2115650 0.85 IGF1R (0.46) TAAR1PTK2AURKAINSRALK
SCHEMBL2113372 0.84 NOS1 (0.37) TAAR1MAPTPOLBKMT2AATM
SCHEMBL5523567 0.84 MAPT (0.38) MAPTPOLBPTK2RAB9ANPC1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TAAR1 3765/4885AOC3 4168/4885MAPT 3476/4885

“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.