SCHEMBL13554651

SCHEMBL13554651

Cc1cnc(C(=O)Nc2ccc(I)c(-c3nccc4ccccc34)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GRM4 Q14833 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CASP3 P42574 1/20 0.35

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
SCHEMBL13552861 0.88 MAPT (0.43) ALDH1A1GRM4MAPTRAB9ANPC1
SCHEMBL13554667 0.83 RAB9A (0.52) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL13554598 0.81 CYP2C9 (0.42) GRM4KMT2AMAPTMEN1TP53
SCHEMBL13554597 0.81 GRM4 (0.55) KDRGRM4RAB9ANPC1KDM4E
SCHEMBL13554739 0.81 MEN1 (0.44) ALDH1A1GRM4KMT2AMAPTMEN1
SCHEMBL13554594 0.80 LMNA (0.49) ALDH1A1KMT2AMAPTTSHRRAB9A
SCHEMBL13554596 0.80 RAB9A (0.58) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL13554832 0.79 FLT3 (0.37) GRM4KMT2AMAPTMEN1TP53
SCHEMBL13554668 0.79 MAPK14 (0.46) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL13554649 0.77 PRKCI (0.52) KDRGRM4KMT2AMAPTMEN1

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 KDR 191/4885ALDH1A1 2485/4885GRM4 3008/4885

“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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