SCHEMBL10057610

SCHEMBL10057610

O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@H]1c1c[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.81
EIF5B O60841 1/20 0.81
MET P08581 1/20 0.81
HMOX2 P30519 1/20 0.81
HTR2A P28223 2/20 0.43
HTR7 P34969 1/20 0.43
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
IDO1 P14902 3/20 0.36
AR P10275 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL10057611 1.00 OPA1 (0.81) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL44944 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL1395795 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL29355700 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL2036414 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL45306 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL14865187 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL44902 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL224883 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A
Tivantinib SCHEMBL12043258 0.89 OPA1 (1.00) OPA1EIF5BMETHMOX2HTR2A

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-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US disclosed
US-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2015-11-19 US disclosed
US-20150297604-A1 Combination Products with Tyrosine Kinase Inhibitors and their Use NOVARTIS AG (CH) 2015-10-22 US disclosed
US-9000005-B2 Highly pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione and methods of preparing same ARQULE, INC. (US) 2015-04-07 US disclosed
US-20150051210-A1 Tyrosine Kinase Inhibitor Combinations and their Use NOVARTIS AG (CH) 2015-02-19 US disclosed
US-20140200199-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. 2014-07-17 US disclosed
US-8754078-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2014-06-17 US disclosed
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same ARQULE, INC. (US) 2013-10-24 US disclosed
US-8470786-B2 Pyrroloquinolinyl-pyrrolidine-2,5-dione compositions and methods for preparing and using same ARQULE, INC. (US) 2013-06-25 US disclosed
US-20130150310-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2013-06-13 US disclosed
US-20120165278-A1 Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same ARQULE, INC. (US) 2012-06-28 US disclosed
US-20120052062-A1 Methods for Treatment of Non-Small Cell Lung Cancer ARQULE, INC. (US) 2012-03-01 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 (9 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-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI OPA1 218/4885EIF5B 490/4885MET 1267/4885
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same DHPS, QDPR, IDO1 OPA1 100/4885EIF5B 1594/4885MET 4773/4885
US-20140200199-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 OPA1 88/4885EIF5B 402/4885MET 2895/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 OPA1 88/4885EIF5B 402/4885MET 2895/4885
US-20150051210-A1 Tyrosine Kinase Inhibitor Combinations and their Use MET, FGFR3, FGFR1 OPA1 4868/4885EIF5B 2641/4885MET 1/4885
US-20120165278-A1 Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same DHPS, PDCD5, DPYD OPA1 63/4885EIF5B 389/4885MET 4439/4885
US-20150297604-A1 Combination Products with Tyrosine Kinase Inhibitors and their Use EGFR, ERBB2, ERBB3 OPA1 4869/4885EIF5B 668/4885MET 4/4885
US-20120052062-A1 Methods for Treatment of Non-Small Cell Lung Cancer EGFR, DCK, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 OPA1 3004/4885EIF5B 887/4885MET 6/4885
US-20130150310-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 OPA1 88/4885EIF5B 402/4885MET 2895/4885

“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.