SCHEMBL13554739

SCHEMBL13554739

Cc1cccnc1C(=O)Nc1ccc(I)c(-c2nccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ GRM1 Q13255 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ GRM4 Q14833 7/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL15502737 0.91 MEN1 (0.47) MEN1TP53MAPTTSHRKMT2A
SCHEMBL13552855 0.88 GRM1 (0.47) MEN1TP53MAPTTSHRKMT2A
SCHEMBL13554597 0.84 GRM4 (0.55) GRM4KDM4ENPC1RAB9A
SCHEMBL13554832 0.82 FLT3 (0.37) MEN1TP53MAPTTSHRKMT2A
SCHEMBL13554598 0.82 CYP2C9 (0.42) MEN1TP53MAPTKMT2AGRM4
SCHEMBL13554834 0.82 NPC1 (0.43) MEN1MAPTKMT2AGRM4KDM4E
SCHEMBL13554649 0.82 PRKCI (0.52) MEN1MAPTKMT2AGRM4KDM4E
SCHEMBL13554594 0.81 LMNA (0.49) MAPTTSHRKMT2AKDM4EALDH1A1
SCHEMBL13554651 0.81 KDR (0.38) MEN1TP53MAPTTSHRKMT2A
SCHEMBL13554596 0.80 RAB9A (0.58) MEN1TP53MAPTKMT2AKDM4E

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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO MEN1 1456/4885TP53 698/4885MAPT 2831/4885

“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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