SCHEMBL16183287

SCHEMBL16183287

Cc1c(-c2cccc(C#N)c2)ccc2nc(-c3cccnc3)nc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.49
▸ CHRNA5 P30532 2/20 0.49
▸ CHRNA4 P43681 2/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ CYP11B1 P15538 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16186207 0.89 CYP11B2 (0.48) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL23273550 0.82 ADORA2A (0.50) —
SCHEMBL16183286 0.81 CHRNB2 (0.47) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL16183288 0.81 CYP11B1 (0.40) ABCG2HSD17B10ALDH1A1TSHRMAPK1
SCHEMBL14727837 0.79 ABCG2 (0.56) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL14731298 0.79 CHRNB2 (0.47) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL19204171 0.78 CHRNB2 (0.48) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL14474623 0.78 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL16184299 0.77 ABCG2 (0.52) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10
SCHEMBL17214443 0.75 ABCG2 (0.56) CHRNB2CHRNA5CHRNA4ABCG2HSD17B10

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 CHRNB2 214/4885CHRNA5 148/4885CHRNA4 256/4885

“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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