SCHEMBL16184501

SCHEMBL16184501

COc1cc(-c2ccccc2F)cc2c(NCC(C)(C)C(N)=O)nc(-c3cccnc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.43
▸ CYP1A2 P05177 5/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ USP2 O75604 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP1 O94782 2/20 0.41
▸ WDR48 Q8TAF3 2/20 0.41
▸ MAPT P10636 3/20 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
SCHEMBL16184578 0.94 CD274 (0.43) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184608 0.92 DYRK1A (0.42) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184631 0.92 DYRK1A (0.42) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184470 0.92 DYRK1A (0.42) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184663 0.90 HCRTR1 (0.41) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184550 0.90 LMNA (0.43) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184689 0.89 ABCB1 (0.43) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184496 0.89 CYP1A2 (0.44) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184525 0.88 GBA1 (0.41) DYRK1ACYP1A2CYP3A4TSHRLMNA
SCHEMBL16184485 0.88 USP2 (0.46) CYP1A2CYP3A4TSHRLMNACLK4

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 DYRK1A 594/4885CYP1A2 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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