SCHEMBL2748397

SCHEMBL2748397

CN(C)CCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.53
PRKD1 Q15139 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
CHEK2 O96017 2/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MAP4K4 O95819 3/20 0.45
BRAF P15056 1/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44

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
SCHEMBL2748906 0.91 PRKD3 (0.62) PRKD3PRKD1PRKD2CHEK2MAP4K4
SCHEMBL2750950 0.86 CHEK2 (0.56) CHEK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2750714 0.83 CHEK2 (0.55) CHEK2GAAKMT2AMAP4K4RAB9A
SCHEMBL2750800 0.83 PRKD3 (0.54) PRKD3PRKD1PRKD2GAAKMT2A
SCHEMBL2750178 0.81 FYN (0.55) CHEK2KMT2AMAP4K4RAB9AKDM4E
SCHEMBL2749378 0.81 MAP4K4 (0.65) CHEK2GAAKMT2AMAP4K4RAB9A
SCHEMBL2748862 0.81 ALDH1A1 (0.57) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL2747954 0.81 MAP4K4 (0.50) CHEK2KMT2AMAP4K4RAB9AKDM4E
SCHEMBL2748144 0.81 CHEK2 (0.62) CHEK2KMT2AMAP4K4RAB9AFYN
SCHEMBL2748403 0.81 MAP4K4 (0.47) CHEK2GAAKMT2AMAP4K4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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 (1 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 PRKD3 199/4885PRKD1 117/4885PRKD2 89/4885

“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.