SCHEMBL16184666

SCHEMBL16184666

COc1cc(-c2ccc(F)c(F)c2)cc2c(NC(C)=O)nc(-c3cccnc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 13/20 0.48
▸ ABCC1 P33527 5/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL14474177 0.92 CYP1A2 (0.51) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL14474173 0.90 MAPT (0.47) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL16184638 0.90 CYP1A2 (0.48) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL16183566 0.88 CYP1A2 (0.47) ABCB1ABCC1CYP1A2LMNACYP3A4
SCHEMBL16184609 0.88 CYP1A2 (0.47) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL16184473 0.87 CYP1A2 (0.49) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL14474224 0.86 ABCB1 (0.45) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL16184553 0.86 MAPT (0.45) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL16184582 0.86 CYP1A2 (0.47) ABCB1ABCC1CYP1A2GMNNLMNA
SCHEMBL16184665 0.85 RXFP1 (0.43) ABCB1ABCC1CYP1A2LMNACYP3A4

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 ABCB1 3803/4885ABCC1 3649/4885CYP1A2 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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