SCHEMBL16183994

SCHEMBL16183994

Cc1cc2nc(-c3cccnc3)nc(Cl)c2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 5/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ MAPK1 P28482 2/20 0.42

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
SCHEMBL14727653 0.82 CYP1A2 (0.64) ALDH1A1HPGDCYP1A2CYP3A4KMT2A
SCHEMBL14726233 0.81 PDE5A (0.60) ALDH1A1POLBSMN1; SMN2NPC1HPGD
SCHEMBL16183310 0.81 KMT2A (0.52) ALDH1A1POLBNPC1HPGDCYP1A2
SCHEMBL2162585 0.81 CYP11B1 (0.49) ALDH1A1POLBSMN1; SMN2NPC1HPGD
Hydrochloric Acid SCHEMBL7280690 0.80 PDE5A (0.61) ALDH1A1POLBSMN1; SMN2NPC1HPGD
Hydrochloric Acid SCHEMBL7280022 0.80 PDE5A (0.52) ALDH1A1POLBNPC1HPGDCYP1A2
SCHEMBL20782725 0.79 PDE10A (0.54) ALDH1A1POLBSMN1; SMN2NPC1HPGD
Hydrochloric Acid SCHEMBL7287195 0.78 PDE10A (0.53) ALDH1A1POLBSMN1; SMN2NPC1HPGD
SCHEMBL2155189 0.78 SMN1; SMN2 (0.44) ALDH1A1POLBSMN1; SMN2NPC1HPGD
SCHEMBL2154602 0.78 PDE5A (0.62) ALDH1A1POLBSMN1; SMN2NPC1HPGD

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 ALDH1A1 1687/4885POLB 2309/4885SMN1; 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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