SCHEMBL2115678

SCHEMBL2115678

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHFR P00374 1/20 0.42
LMNA P02545 2/20 0.40
SRC P12931 1/20 0.40
SYK P43405 1/20 0.40
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36
ABL1 P00519 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
SCHEMBL2113275 0.93 MEN1 (0.45) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2114722 0.92 MEN1 (0.44) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2114090 0.91 RAB9A (0.44) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2114996 0.85 HTT (0.49) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL5533574 0.84 MEN1 (0.43) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2114076 0.84 RAB9A (0.43) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2113639 0.83 RAB9A (0.42) NPC1RAB9AMEN1KMT2APKM
SCHEMBL2114974 0.83 RAB9A (0.47) NPC1RAB9AKDRMAPT
SCHEMBL2117618 0.82 L3MBTL1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2113990 0.81 HTT (0.44) NPC1RAB9APKMSMN1; SMN2LMNA

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 NPC1 3660/4885RAB9A 2884/4885MEN1 4847/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG NPC1 3660/4885RAB9A 2884/4885MEN1 4847/4885

“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.