SCHEMBL2113990

SCHEMBL2113990

Cc1cccc(Nc2ncc(CCN(C)C)c(N)n2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
JAK2 O60674 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NUDT1 P36639 1/20 0.39
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNK2 Q07912 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.35
CCNA2 P20248 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
SCHEMBL2116828 0.93 HTT (0.43) HTTNPC1RAB9AJAK2TNF
SCHEMBL2116066 0.92 HTT (0.42) HTTNPC1RAB9AJAK2TNF
SCHEMBL2114996 0.90 HTT (0.49) HTTNPC1RAB9AINSRALK
SCHEMBL2115272 0.86 TNK2 (0.42) TNK2
SCHEMBL5525987 0.84 NPC1 (0.41) HTTNPC1RAB9AJAK2TNF
SCHEMBL2115703 0.83 HTT (0.47) HTTNPC1RAB9ALMNAPKM
SCHEMBL2113279 0.82 TAAR1 (0.43) JAK2INSRALKPOLBCCNA2
SCHEMBL2114807 0.82 LMNA (0.50) INSRALKLMNATNK2
SCHEMBL2116118 0.82 HTT (0.46) HTTNPC1RAB9ALMNAPKM
SCHEMBL2115650 0.82 IGF1R (0.46) INSRALKTNK2

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 HTT 4226/4885NPC1 3660/4885RAB9A 2884/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG HTT 4226/4885NPC1 3660/4885RAB9A 2884/4885

“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.