SCHEMBL16183286

SCHEMBL16183286

Cc1c(-c2ccc(F)c(F)c2)ccc2nc(-c3cccnc3)nc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA5 P30532 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ EPHB4 P54760 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIP5K1C O60331 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38

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
SCHEMBL16183288 0.87 CYP11B1 (0.40) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL16183287 0.81 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA4KDM4EALDH1A1
SCHEMBL16186207 0.80 CYP11B2 (0.48) CHRNB2CHRNA5CHRNA4KDM4EALDH1A1
SCHEMBL14727666 0.79 CHRNB2 (0.46) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL14731288 0.78 CHRNB2 (0.45) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL19204167 0.77 CHRNB2 (0.46) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL16184295 0.77 CYP1A2 (0.50) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL14474599 0.77 CHRNB2 (0.48) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL17214444 0.75 CHRNB2 (0.53) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL16183594 0.74 CYP1A2 (0.54) CHRNB2CHRNA5CHRNA4POLBKDM4E

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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