SCHEMBL179156

SCHEMBL179156

NC(=O)c1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.67
F2 P00734 1/20 0.62
F10 P00742 1/20 0.62
F7 P08709 1/20 0.62
METAP2 P50579 6/20 0.58
METAP1 P53582 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
PKM P14618 3/20 0.58
HPGD P15428 3/20 0.58
MTOR P42345 1/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 1/20 0.58
CBFB Q13951 9/20 0.56
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL29517866 1.00 CHEK2 (0.67) CHEK2F2F10F7METAP2
SCHEMBL3921720 0.90 CHEK2 (0.83) CHEK2HPGDKDM4EMAPTALDH1A1
SCHEMBL30832867 0.90 CHEK2 (0.82) CHEK2F2F10F7METAP2
SCHEMBL179109 0.88 METAP2 (0.60) CHEK2F2F10F7METAP2
SCHEMBL11034496 0.87 METAP1 (0.58) CHEK2F2F10F7METAP2
SCHEMBL6161244 0.87 F2 (0.81) CHEK2F2F10F7METAP2
Hydrochloric Acid SCHEMBL23201161 0.86 F2 (0.79) CHEK2F2F10F7METAP2
Hydrochloric Acid SCHEMBL30385750 0.86 F2 (0.79) CHEK2F2F10F7METAP2
SCHEMBL7402927 0.85 F2 (0.62) CHEK2F2F10F7METAP2
SCHEMBL32660751 0.84 CBFB (0.55) F2F10F7METAP2METAP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274967-A1 BCAT MODULATION ICAGEN, LLC 2022-09-01 US claimed
US-20220274967-A1 BCAT MODULATION ICAGEN, LLC 2022-09-01 US disclosed
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 US disclosed
EP-3180004-A1 CANCER THERAPEUTICS University Of Virginia Patent Foundation (US) 2017-06-21 EP disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 WO 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
WO-2010132684-A9 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-06 WO disclosed
WO-2010132684-A2 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-11-18 WO 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 (6 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 CHEK2 1519/4885F2 4705/4885F10 1844/4885
US-20220274967-A1 BCAT MODULATION BCAT2, BCAT1, ABAT CHEK2 2973/4885F2 4009/4885F10 4691/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CHEK2 1583/4885F2 4004/4885F10 1670/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CHEK2 1479/4885F2 4019/4885F10 1701/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 CHEK2 1519/4885F2 4705/4885F10 1844/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CHEK2 1479/4885F2 4019/4885F10 1701/4885

“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.