SCHEMBL13554667

SCHEMBL13554667

Cc1nc(C)c(C(=O)Nc2ccc(I)c(-c3nccc4ccccc34)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NPC1 O15118 8/20 0.51
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SENP8 Q96LD8 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ SENP6 Q9GZR1 2/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ F10 P00742 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL13552840 0.88 RAB9A (0.52) RAB9ARECQLNPC1SMN1; SMN2TP53
SCHEMBL13554668 0.87 MAPK14 (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL13554651 0.83 KDR (0.38) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13554597 0.80 GRM4 (0.55) RAB9ANPC1SMN1; SMN2KDM4EPKM
SCHEMBL13554739 0.80 MEN1 (0.44) RAB9ANPC1TP53MAPTKDM4E
SCHEMBL13554594 0.79 LMNA (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL13554832 0.78 FLT3 (0.37) RAB9ANPC1TP53MAPTKDM4E
SCHEMBL13554598 0.78 CYP2C9 (0.42) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13554801 0.77 CYP2C9 (0.51) LMNA
SCHEMBL13554596 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53MAPT

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 RAB9A 447/4885RECQL 793/4885NPC1 1532/4885

“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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