SCHEMBL16184159

SCHEMBL16184159

COc1c(Cl)ccc2c(Cl)nc(-c3cccnc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ CYP11B1 P15538 5/20 0.43
▸ CYP11B2 P19099 5/20 0.43
▸ CYP19A1 P11511 5/20 0.43
▸ CYP17A1 P05093 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TSHR P16473 2/20 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
SCHEMBL16184134 0.85 CYP1A2 (0.54) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15966833 0.84 ALDH1A1 (0.49) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16184099 0.81 NPC1 (0.54) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16183307 0.74 CYP11B2 (0.55) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL29589455 0.74 CYP11B2 (0.55) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16184162 0.74 KMT2A (0.46) NPC1CYP11B1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL14359121 0.74 ALDH1A1 (0.47) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL20782725 0.73 PDE10A (0.54) NPC1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL27296163 0.73 ALDH1A1 (0.37) NPC1ALDH1A1SMN1; SMN2HPGDMAPT
Hydrochloric Acid SCHEMBL7287195 0.72 PDE10A (0.53) NPC1CYP11B1CYP11B2CYP19A1CYP17A1

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 NPC1 2208/4885CYP11B1 2235/4885CYP11B2 2204/4885

“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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