SCHEMBL16184329

SCHEMBL16184329

CNc1nc(-c2cnccn2)nc2ccc(-c3ccc(C#N)cc3)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ SLC22A12 Q96S37 3/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL16184318 0.90 NPC1 (0.41) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL16184328 0.89 CYP1A2 (0.46) ALDH1A1KDM4EGRM5ABCG2EGFR
SCHEMBL16184322 0.87 NPC1 (0.43) ALDH1A1KDM4EGAASMN1; SMN2GSK3A
SCHEMBL16184298 0.85 ABCG2 (0.51) ALDH1A1KDM4EGAAABCG2MAPT
SCHEMBL16184345 0.84 ALDH1A1 (0.38) PORCNALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL16184339 0.84 CYP1A2 (0.41) ALDH1A1KDM4EGAASMN1; SMN2GRM5
SCHEMBL14474742 0.84 FEN1 (0.43) PDGFRBCYP1A2CYP2C19CYP3A4CLK4
SCHEMBL14474746 0.83 NPC1 (0.39) GRM5ABCG2PIM1MAPK14CYP1A2
SCHEMBL16184319 0.82 MAP4K4 (0.44) SLC22A12ABCG2GSK3BPIM1CDK2
SCHEMBL16184334 0.81 FEN1 (0.41) MAPK14ALOX5APFEN1NPC1RAB9A

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PORCN 3968/4885ALDH1A1 1687/4885KDM4E 1395/4885

“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.

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