SCHEMBL124418

SCHEMBL124418

Cc1ccc2[nH]c(-c3ncccc3F)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 5/20 0.54
▸ PDE10A Q9Y233 1/20 0.48
▸ METAP2 P50579 2/20 0.47
▸ METAP1 P53582 2/20 0.47
▸ TRPV1 Q8NER1 2/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ ITK Q08881 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL125119 0.86 CBFB (0.49) CBFBMETAP2METAP1TRPV1NPC1
SCHEMBL18764064 0.84 CBFB (0.55) CBFBPDE10AMETAP2METAP1TRPV1
SCHEMBL32680229 0.83 CBFB (0.47) CBFBMETAP2METAP1TRPV1NPC1
SCHEMBL19228817 0.81 RUNX1 (0.57) CBFBMETAP2METAP1TRPV1NPC1
SCHEMBL12943824 0.80 CBFB (0.51) CBFBPDE10AMETAP2METAP1TRPV1
SCHEMBL19228812 0.80 RUNX1 (0.56) CBFBMETAP2METAP1TRPV1NPC1
SCHEMBL19228819 0.78 CBFB (0.46) CBFBPDE10AMETAP2METAP1TRPV1
SCHEMBL179102 0.78 CBFB (0.82) CBFBPDE10ATRPV1RUNX1
SCHEMBL32680204 0.77 NPC1 (0.42) CBFBPDE10AMETAP2METAP1TRPV1
SCHEMBL19228827 0.77 CXCR3 (0.45) CBFBMETAP2METAP1TRPV1NPC1

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 4586/4885METAP2 3332/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE10A 4592/4885METAP2 3287/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE10A 4592/4885METAP2 3287/4885

“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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