SCHEMBL19228816

SCHEMBL19228816

COc1cnc(-c2nc3cc(C)ccc3[nH]2)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 6/20 0.45
▸ RUNX1 Q01196 3/20 0.43
▸ CDK4 P11802 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 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
SCHEMBL26051103 0.87 CBFB (0.41) CBFBRUNX1ATRKDM4EALDH1A1
SCHEMBL19228823 0.84 RUNX1 (0.46) CBFBRUNX1ALOX5EPHX2KDM4E
SCHEMBL19228808 0.82 RUNX1 (0.57) RUNX1ATRACHESMN1; SMN2
SCHEMBL19228814 0.81 ACHE (0.56) RUNX1ACHESMN1; SMN2
SCHEMBL19228806 0.80 RUNX1 (0.55) RUNX1ACHE
SCHEMBL19228805 0.80 RUNX1 (0.68) RUNX1ALDH1A1ACHE
SCHEMBL19228807 0.79 RUNX1 (0.52) RUNX1KDM4EALDH1A1POLBACHE
SCHEMBL19228812 0.78 RUNX1 (0.56) CBFBRUNX1ATRALDH1A1NPC1
SCHEMBL19228815 0.77 RUNX1 (0.55) RUNX1KDM4EALDH1A1MAPTHPGD
SCHEMBL19228809 0.74 CBFB (0.49) CBFBRUNX1CDK4CCNA2CCND1

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 1/4885CDK4 1728/4885

“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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