SCHEMBL16184656

SCHEMBL16184656

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 7/20 0.44
▸ CYP1A2 P05177 5/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ CLK4 Q9HAZ1 4/20 0.42
▸ USP2 O75604 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 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
SCHEMBL16184655 0.97 GBA1 (0.43) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184518 0.95 GBA1 (0.45) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184544 0.95 GBA1 (0.44) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184657 0.95 CYP1A2 (0.43) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184517 0.93 GBA1 (0.45) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184543 0.92 CYP1A2 (0.44) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184684 0.91 ABCB1 (0.43) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184519 0.90 GBA1 (0.46) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184545 0.90 CYP1A2 (0.44) GBA1CYP1A2CYP3A4LMNATSHR
SCHEMBL16184661 0.90 CYP1A2 (0.44) CYP1A2CYP3A4LMNATSHRCLK4

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 GBA1 1316/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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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