SCHEMBL12659646

SCHEMBL12659646

Cc1ccc(C(=O)Nc2c[nH]nc2-c2nc3ccccc3[nH]2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ FOXO1 Q12778 2/20 0.47
▸ MAPT P10636 7/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PDE10A Q9Y233 3/20 0.46
▸ CHEK1 O14757 2/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ AHR P35869 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL14320050 0.90 MAPT (0.48) THRBKMT2AFOXO1MAPTSMN1; SMN2
SCHEMBL12252776 0.89 PDE10A (0.51) KMT2AFOXO1MAPTSMN1; SMN2TP53
SCHEMBL8305583 0.89 MAPT (0.53) KMT2AFOXO1MAPTSMN1; SMN2TP53
SCHEMBL8302941 0.89 FOXO1 (0.56) THRBKMT2AFOXO1MAPTSMN1; SMN2
SCHEMBL8299790 0.88 MAPT (0.48) THRBKMT2AFOXO1MAPTSMN1; SMN2
SCHEMBL13544980 0.85 ACHE (0.48) KMT2AMAPTSMN1; SMN2PDE10ACHEK1
SCHEMBL13544983 0.84 ACHE (0.47) KMT2AMAPTSMN1; SMN2PDE10ANPC1
SCHEMBL8299918 0.84 FOXO1 (0.45) KMT2AFOXO1MAPTSMN1; SMN2TP53
SCHEMBL8302251 0.83 FOXO1 (0.64) KMT2AFOXO1MAPTNPC1RAB9A
SCHEMBL12303897 0.83 MAPT (0.47) KMT2AFOXO1MAPTSMN1; SMN2TP53

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
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 — — EP disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 — — 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-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A THRB 972/4885KMT2A 3665/4885FOXO1 850/4885

“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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