SCHEMBL2114722

SCHEMBL2114722

Cc1ccc(C)c(Nc2ncc(CCCCN(C)C)c(N)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHFR P00374 1/20 0.40
NOS1 P29475 5/20 0.39
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
LMNA P02545 2/20 0.38
SRC P12931 1/20 0.38
SYK P43405 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
SCHEMBL2113275 0.97 MEN1 (0.45) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL2115678 0.92 NPC1 (0.46) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL2113639 0.91 RAB9A (0.42) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL2114076 0.88 RAB9A (0.43) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL2116118 0.86 HTT (0.46) KMT2ANPC1PKMRAB9ASMN1; SMN2
SCHEMBL2114724 0.84 RAB9A (0.44) NPC1RAB9ANOS1NOS3NOS2
SCHEMBL2114842 0.83 STK17A (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2115703 0.83 HTT (0.47) KMT2ANPC1PKMRAB9ASMN1; SMN2
SCHEMBL2114090 0.83 RAB9A (0.44) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL2116066 0.82 HTT (0.42) KMT2ANPC1PKMRAB9ASMN1; SMN2

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 MEN1 4847/4885KMT2A 1889/4885NPC1 3660/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG MEN1 4847/4885KMT2A 1889/4885NPC1 3660/4885

“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.