SCHEMBL125273

SCHEMBL125273

Cc1ccc(-c2nc3cc(N4CCCC4)ccc3[nH]2)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
CBFB Q13951 3/20 0.44
BRD4 O60885 1/20 0.42
TERT O14746 3/20 0.42
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPBWR1 P48145 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
AURKA O14965 1/20 0.38
MAOB P27338 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL14892479 0.86 SMN1; SMN2 (0.53) KCNH2BRD4TERTNPC1RAB9A
SCHEMBL12944362 0.85 CBFB (0.44) CBFBBRD4TERTNPBWR1PDE3B
SCHEMBL126325 0.85 CBFB (0.52) CBFBNPC1RAB9AAURKAFGFR1
SCHEMBL14892249 0.83 TOP1 (0.41) KCNH2CBFBBRD4TERTMAOB
SCHEMBL26158811 0.81 METAP2 (0.52) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125111 0.80 CBFB (0.67) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125213 0.80 CBFB (0.46) CBFBFGFR1
SCHEMBL125289 0.79 CBFB (0.65) CBFBMETAP2METAP1NPC1PKM
SCHEMBL18163934 0.78 PRKAG1 (0.41) KCNH2BRD4TERTNPC1RAB9A
SCHEMBL24347820 0.77 NPBWR1 (0.55) KCNH2NPC1RAB9ASIRT2SIRT1

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 KCNH2 3266/4885CBFB 3/4885BRD4 512/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB KCNH2 3151/4885CBFB 3/4885BRD4 512/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB KCNH2 3151/4885CBFB 3/4885BRD4 512/4885

“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.