SCHEMBL16186347

SCHEMBL16186347

CNC(=O)C1CN(c2nc(-c3cccnc3)nc3ccc(-c4ccc(F)cc4F)cc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GBA1 P04062 7/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ PDE5A O76074 2/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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 0.89 LMNA (0.43) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL16183751 0.86 TSHR (0.47) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL16184773 0.85 MAPT (0.41) ALOX5APFEN1LMNAALDH1A1MAPT
SCHEMBL16183752 0.84 GBA1 (0.47) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL14727603 0.82 LMNA (0.61) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL16183750 0.82 ALDH1A1 (0.58) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL14727609 0.81 LMNA (0.63) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL16183758 0.81 TSHR (0.43) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL16183754 0.80 ALDH1A1 (0.47) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL14727612 0.79 ALDH1A1 (0.63) LMNAALDH1A1TSHRUSP2MAPT

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 1 patent. 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

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 ALOX5AP 2918/4885FEN1 3258/4885LMNA 4832/4885

“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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