SCHEMBL19228809

SCHEMBL19228809

COc1ccnc(-c2nc3cc(C)ccc3[nH]2)c1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 5/20 0.49
▸ RUNX1 Q01196 2/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ FGFR1 P11362 1/20 0.39
▸ AMY1A P0DUB6 4/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ SMPD3 Q9NY59 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 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
SCHEMBL26051105 0.85 CBFB (0.40) CBFBRUNX1METAP2METAP1NPC1
SCHEMBL19228826 0.84 ALOX5 (0.46) CBFBRUNX1ALOX5EPHX2FGFR1
SCHEMBL12419209 0.77 RAB9A (0.46) NPC1RAB9APKMTP53MAPT
SCHEMBL19228812 0.76 RUNX1 (0.56) CBFBRUNX1METAP2METAP1NPC1
SCHEMBL19228816 0.74 CBFB (0.45) CBFBRUNX1ALOX5EPHX2AMY1A
SCHEMBL125165 0.73 CBFB (0.83) CBFBRUNX1AMY1ACDK4CCNA2
SCHEMBL17268719 0.72 ALOX5 (0.40) CBFBALOX5EPHX2AMY1ACDK4
SCHEMBL26051103 0.72 CBFB (0.41) CBFBRUNX1METAP2METAP1NPC1
SCHEMBL125119 0.71 CBFB (0.49) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL1171203 0.70 NPC1 (0.51) CBFBALOX5EPHX2METAP2METAP1

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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 — — 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 CBFB 2/4885RUNX1 1/4885ALOX5 2686/4885

“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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