SCHEMBL16183753

SCHEMBL16183753

NC(=O)C1CCN1c1nc(-c2cccnc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GBA1 P04062 9/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PDE5A O76074 2/20 0.39
▸ ATR Q13535 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37

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
SCHEMBL16183757 0.85 LMNA (0.43) LMNAMAPTSMN1; SMN2KDM4EGBA1
SCHEMBL16184768 0.84 MAPT (0.46) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14727603 0.81 LMNA (0.61) LMNAMAPTSMN1; SMN2KDM4EGBA1
SCHEMBL16183750 0.81 ALDH1A1 (0.58) LMNAMAPTSMN1; SMN2GBA1ALDH1A1
SCHEMBL14475119 0.81 GBA1 (0.44) LMNAMAPTSMN1; SMN2KDM4EGBA1
SCHEMBL14727609 0.80 LMNA (0.63) LMNAMAPTSMN1; SMN2KDM4EGBA1
SCHEMBL16183751 0.80 TSHR (0.47) LMNAMAPTSMN1; SMN2KDM4EGBA1
SCHEMBL14727612 0.78 ALDH1A1 (0.63) LMNAMAPTSMN1; SMN2GBA1ALDH1A1
SCHEMBL16184789 0.78 MAPT (0.46) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL16186347 0.78 ALOX5AP (0.41) LMNAMAPTSMN1; SMN2GBA1ALDH1A1

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 LMNA 4832/4885MAPT 509/4885SMN1; SMN2 3987/4885

“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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