SCHEMBL2114076

SCHEMBL2114076

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS1 P29475 7/20 0.38
NOS3 P29474 5/20 0.38
NOS2 P35228 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
USP2 O75604 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
SCHEMBL2113639 0.97 RAB9A (0.42) RAB9ANPC1HTTKMT2AALOX15
SCHEMBL2114090 0.93 RAB9A (0.44) RAB9ANPC1HTTKMT2AALOX15
SCHEMBL2113275 0.91 MEN1 (0.45) RAB9ANPC1KMT2ANOS1NOS3
SCHEMBL2114722 0.88 MEN1 (0.44) RAB9ANPC1KMT2AL3MBTL1NOS1
SCHEMBL2115703 0.86 HTT (0.47) RAB9ANPC1HTTKMT2ASMN1; SMN2
SCHEMBL2115678 0.84 NPC1 (0.46) RAB9ANPC1HTTKMT2ASMN1; SMN2
SCHEMBL2111997 0.83 RAB9A (0.45) RAB9ANPC1NOS1NOS3NOS2
SCHEMBL2116118 0.83 HTT (0.46) RAB9ANPC1HTTKMT2AL3MBTL1
SCHEMBL5522571 0.82 RAB9A (0.41) RAB9ANPC1HTTKMT2AALOX15
SCHEMBL5520429 0.82 AURKA (0.47) RAB9ANPC1L3MBTL1SMN1; SMN2USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
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 RAB9A 2884/4885NPC1 3660/4885HTT 4226/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG RAB9A 2884/4885NPC1 3660/4885HTT 4226/4885

“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.