SCHEMBL13554668

SCHEMBL13554668

CCNc1nc(C)c(C(=O)Nc2ccc(I)c(-c3nccc4ccccc34)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 7/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ HTT P42858 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL13552849 0.90 MAPT (0.49) MAPK14SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL13554667 0.87 RAB9A (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL13554651 0.79 KDR (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL13552840 0.76 RAB9A (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL13554597 0.76 GRM4 (0.55) SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL13554739 0.76 MEN1 (0.44) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL13554594 0.75 LMNA (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL13554832 0.74 FLT3 (0.37) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL13554598 0.74 CYP2C9 (0.42) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL13554801 0.73 CYP2C9 (0.51) LMNACYP2C9

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 MAPK14 253/4885SMN1; SMN2 4323/4885ALDH1A1 2485/4885

“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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