SCHEMBL16184800

SCHEMBL16184800

COc1cc(-c2cc(F)cc(F)c2)cc2c(N3CCN(C(C)=O)CC3)nc(-c3cccnc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.50
▸ CYP17A1 P05093 4/20 0.50
▸ CYP21A2 P08686 4/20 0.50
▸ GBA1 P04062 2/20 0.47
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ TACR3 P29371 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL16184717 0.95 CYP17A1 (0.47) CYP11B1CYP17A1CYP21A2GBA1MAPT
SCHEMBL16184735 0.94 GBA1 (0.47) CYP11B1CYP17A1CYP21A2GBA1MAPT
SCHEMBL16184816 0.91 GBA1 (0.46) CYP11B1CYP17A1CYP21A2GBA1MAPT
SCHEMBL16184767 0.89 GBA1 (0.44) CYP11B1CYP17A1CYP21A2GBA1MAPT
SCHEMBL16184784 0.89 GBA1 (0.44) CYP11B1CYP17A1CYP21A2GBA1MAPT
SCHEMBL16184700 0.89 GBA1 (0.47) CYP11B1CYP17A1CYP21A2GBA1MAPT
SCHEMBL16184797 0.88 CYP1A2 (0.55) GBA1MAPTALDH1A1GAALMNA
SCHEMBL16184052 0.88 ALDH1A1 (0.48) GBA1MAPTALDH1A1GAALMNA
SCHEMBL16184788 0.88 ALDH1A1 (0.51) GBA1MAPTALDH1A1GAALMNA
SCHEMBL16184754 0.88 GBA1 (0.44) CYP11B1CYP17A1CYP21A2GBA1MAPT

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 CYP11B1 2235/4885CYP17A1 1430/4885CYP21A2 1520/4885

“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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