SCHEMBL16184436

SCHEMBL16184436

CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3ccc(C(F)(F)F)cc3C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ LMNA P02545 5/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL16184433 0.92 CYP1A2 (0.43) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184126 0.89 CYP1A2 (0.45) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184043 0.89 CYP1A2 (0.47) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184041 0.88 HSD17B10 (0.46) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16183772 0.87 CYP1A2 (0.51) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184447 0.86 CYP1A2 (0.43) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184039 0.85 CYP1A2 (0.47) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184123 0.83 CYP1A2 (0.45) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184128 0.83 CYP1A2 (0.45) HSD17B10CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL16184118 0.83 CYP1A2 (0.45) HSD17B10CLK4CYP1A2CYP3A4CYP2D6

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 HSD17B10 2670/4885CLK4 1084/4885CYP1A2 2971/4885

“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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