SCHEMBL9779481

SCHEMBL9779481

CNS(=O)(=O)c1cccc(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
TNNI3K Q59H18 10/20 0.46
EGFR P00533 2/20 0.46
LMNA P02545 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
NAT1 P18440 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PTBP1 P26599 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL2242660 0.82 L3MBTL1 (0.61) L3MBTL1TNNI3KEGFRLMNACA12
SCHEMBL24226848 0.82 CA12 (0.49) L3MBTL1TNNI3KEGFRCA12CA1
SCHEMBL941584 0.81 CA12 (0.44) LMNACA12CA1CA2CA9
SCHEMBL14674169 0.81 KMT2A (0.47) TNNI3KLMNACA12CA1CA2
SCHEMBL2854486 0.81 MAPT (0.65) LMNACA12CA1CA2CA9
SCHEMBL14674759 0.81 ALDH1A1 (0.44) CA12CA1CA2CA9NAT1
SCHEMBL15652008 0.79 LMNA (0.66) LMNACA1CA2ALDH1A1PTBP1
SCHEMBL41941 0.79 CA12 (0.47) CA12CA1CA2CA9NAT1
SCHEMBL30402657 0.79 CA12 (0.47) CA12CA1CA2CA9NAT1
SCHEMBL14674435 0.78 KMT2A (0.53) LMNACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed
US-3931142-A Heterocyclic containing disazo compounds CIBA-GEIGY AG (CH) 1976-01-06 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 (2 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK L3MBTL1 505/4885TNNI3K 129/4885EGFR 901/4885
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE ERBB2, ABL1, IGF1R L3MBTL1 1969/4885TNNI3K 80/4885EGFR 6/4885

“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.