SCHEMBL16184688

SCHEMBL16184688

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 10/20 0.43
▸ ABCC1 P33527 5/20 0.43
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ LMNA P02545 4/20 0.40
▸ USP2 O75604 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GMNN O75496 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
SCHEMBL16184667 0.93 ABCB1 (0.43) ABCB1ABCC1CYP1A2CYP3A4TSHR
SCHEMBL16184548 0.93 CYP1A2 (0.44) ABCB1ABCC1CYP1A2CYP3A4TSHR
SCHEMBL16184685 0.91 ABCB1 (0.44) ABCB1ABCC1CYP1A2CYP3A4TSHR
SCHEMBL16184523 0.91 GBA1 (0.45) ABCB1CYP1A2CYP3A4TSHRCLK4
SCHEMBL16184662 0.91 CYP1A2 (0.42) ABCB1CYP1A2CYP3A4TSHRCLK4
SCHEMBL16184687 0.90 ABCB1 (0.42) ABCB1ABCC1CYP1A2CYP3A4TSHR
SCHEMBL16184630 0.89 CYP1A2 (0.41) ABCB1CYP1A2CYP3A4TSHRCLK4
SCHEMBL16184683 0.89 ABCB1 (0.43) ABCB1ABCC1CYP1A2CYP3A4TSHR
SCHEMBL16184500 0.89 CYP1A2 (0.43) ABCB1CYP1A2CYP3A4TSHRCLK4
SCHEMBL16184668 0.88 LMNA (0.42) ABCB1ABCC1CYP1A2CYP3A4TSHR

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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