SCHEMBL2115239

SCHEMBL2115239

CN(C)CCCCc1cnc(Nc2ccccc2F)nc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
PTK2 Q05397 1/20 0.38
KMT2A Q03164 2/20 0.37
ATM Q13315 2/20 0.37
RAD52 P43351 1/20 0.37
BLM P54132 1/20 0.37
MEN1 O00255 1/20 0.36
CDK4 P11802 1/20 0.35
CDK2 P24941 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
SCHEMBL2113341 0.97 TAAR1 (0.40) TAAR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2114796 0.92 TAAR1 (0.49) TAAR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2112982 0.91 JAK2 (0.35) TAAR1MBTD1L3MBTL3L3MBTL1MAPT
SCHEMBL2113372 0.88 NOS1 (0.37) TAAR1MAPTPOLBKMT2AATM
SCHEMBL2114137 0.87 CDK9 (0.43) TAAR1MBTD1L3MBTL3L3MBTL1CDK2
SCHEMBL2116118 0.87 HTT (0.46) MBTD1L3MBTL3L3MBTL1RAB9ANPC1
SCHEMBL2115133 0.87 POLB (0.40) POLB
SCHEMBL2115041 0.87 DHFR (0.40) MBTD1L3MBTL3L3MBTL1RAB9ANPC1
SCHEMBL2113295 0.86 IGF1R (0.43) MBTD1L3MBTL3L3MBTL1RAB9ANPC1
SCHEMBL2115703 0.84 HTT (0.47) RAB9ANPC1SMN1; SMN2MAPTPOLB

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 TAAR1 3765/4885MBTD1 2789/4885L3MBTL3 3805/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TAAR1 3765/4885MBTD1 2789/4885L3MBTL3 3805/4885

“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.