SCHEMBL19322331

SCHEMBL19322331

CN(C)/C=N/c1ccc(NC(=O)NN)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
IMPDH2 P12268 8/20 0.36
IDO1 P14902 1/20 0.35
IMPDH1 P20839 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20605289 0.86 ALDH1A1 (0.40) ALDH1A1IMPDH2MAPTGAAKMT2A
SCHEMBL20605293 0.86 ALDH1A1 (0.40) ALDH1A1IMPDH2MAPTGAAKMT2A
SCHEMBL19322333 0.86 ALDH1A1 (0.41) ALDH1A1IMPDH2IMPDH1MAPTGAA
SCHEMBL14536912 0.85 IDO1 (0.52) ALDH1A1IDO1MAPTGAARAB9A
SCHEMBL19068713 0.84 ALDH1A1 (0.39) ALDH1A1IMPDH2IDO1IMPDH1MAPT
SCHEMBL24167727 0.82 EGFR (0.40) ALDH1A1IMPDH2MAPTGAAMEN1
SCHEMBL6588041 0.82 EGFR (0.40) ALDH1A1IMPDH2MAPTGAAMEN1
SCHEMBL6584471 0.82 EGFR (0.40) ALDH1A1IMPDH2MAPTGAAMEN1
SCHEMBL20605461 0.81 NPC1 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL29971213 0.81 NPC1 (0.44) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 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-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 ALDH1A1 2816/4885IMPDH2 2722/4885IDO1 2241/4885

“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.