SCHEMBL125165

SCHEMBL125165

COc1cccnc1-c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 7/20 0.83
▸ PDE10A Q9Y233 2/20 0.45
▸ RUNX1 Q01196 2/20 0.43
▸ PDE5A O76074 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ AMY1A P0DUB6 2/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL125202 0.84 CBFB (0.59) CBFBRUNX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL179108 0.83 CBFB (0.60) CBFBPDE10ARUNX1PDE5AAURKA
SCHEMBL13064018 0.79 CBFB (0.56) CBFBPDE10ARUNX1PDE5AAURKA
SCHEMBL17525962 0.77 RUNX1 (0.62) CBFBPDE10ARUNX1PDE5AAURKA
SCHEMBL125632 0.75 CBFB (0.82) CBFBRUNX1KDM4EMAPTSMN1; SMN2
SCHEMBL125118 0.75 CBFB (0.80) CBFBKDM4EMAPTSMN1; SMN2
SCHEMBL32660737 0.75 CBFB (0.80) CBFBKDM4EMAPTSMN1; SMN2
SCHEMBL125633 0.73 CBFB (0.50) CBFBRUNX1HSD17B10
SCHEMBL15779786 0.73 CBFB (0.53) CBFBAURKAKDM4EALDH1A1SMN1; SMN2
SCHEMBL19228809 0.73 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 — — US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 — — US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 — — US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 — — US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 — — US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 — — 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 (3 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE10A 4586/4885RUNX1 10/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE10A 4592/4885RUNX1 10/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE10A 4592/4885RUNX1 10/4885

“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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