SCHEMBL16184377

SCHEMBL16184377

CNc1nc(-c2cnccn2)nc2c(F)cc(-c3cccc(C#N)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ GRM5 P41594 1/20 0.41
▸ NEK1 Q96PY6 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA5 P31644 3/20 0.39
▸ GABRA3 P34903 3/20 0.39
▸ CYP2C9 P11712 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HPGD P15428 2/20 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
SCHEMBL16184376 0.89 CYP2C19 (0.41) CYP1A2CYP3A4ALDH1A1CLK4MEN1
SCHEMBL16186407 0.88 CYP1A2 (0.45) CYP1A2CYP3A4ALDH1A1CLK4MEN1
SCHEMBL16183904 0.87 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1CLK4MEN1
SCHEMBL16184361 0.87 MAP4K4 (0.42) CYP1A2CYP3A4CLK4CYP2C19GRM5
SCHEMBL16184370 0.85 MAP4K4 (0.45) CYP1A2CYP3A4CLK4MEN1KMT2A
SCHEMBL16184350 0.85 CYP1A2 (0.46) CYP1A2CYP3A4ALDH1A1CLK4MEN1
SCHEMBL16184371 0.84 CYP17A1 (0.36) CYP1A2CYP3A4ALDH1A1CLK4MAPK1
SCHEMBL16186397 0.83 CYP1A2 (0.58) CYP1A2CYP3A4ALDH1A1CLK4MEN1
SCHEMBL16184364 0.82 LATS1 (0.37) CYP1A2CYP3A4ALDH1A1CLK4MEN1
SCHEMBL16184368 0.81 GRM5 (0.38) CYP1A2CYP3A4CLK4CYP2C19GRM5

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 CYP1A2 2971/4885CYP3A4 4456/4885ALDH1A1 1687/4885

“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.

Send feedback