SCHEMBL16184632

SCHEMBL16184632

COc1cc(-c2cc(F)cc(F)c2)cc2c(NCC(F)(F)C(N)=O)nc(-c3cccnc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ CYP1A2 P05177 5/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 4/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ABCB1 P08183 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
SCHEMBL16184497 0.95 GBA1 (0.41) HCRTR1HCRTR2CYP1A2CYP3A4LMNA
SCHEMBL16184526 0.95 LMNA (0.43) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184663 0.92 HCRTR1 (0.41) HCRTR1HCRTR2CYP1A2CYP3A4LMNA
SCHEMBL16184664 0.91 ABCB1 (0.43) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184607 0.90 DYRK1A (0.41) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184579 0.90 DYRK1A (0.41) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184470 0.90 DYRK1A (0.42) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184650 0.89 LMNA (0.46) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184552 0.88 DYRK1A (0.41) CYP1A2CYP3A4LMNATSHRCYP2D6
SCHEMBL16184661 0.88 CYP1A2 (0.44) HCRTR1HCRTR2CYP1A2CYP3A4LMNA

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 HCRTR1 494/4885HCRTR2 846/4885CYP1A2 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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