SCHEMBL1395844

SCHEMBL1395844

Cc1cccc(-c2ccc3[nH]cc([C@H]4C(=O)NC(=O)[C@@H]4c4cn5c6c(cccc46)CCC5)c3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.73
EIF5B O60841 1/20 0.73
MET P08581 1/20 0.73
HMOX2 P30519 1/20 0.73
ICMT O60725 1/20 0.37
IDO1 P14902 1/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR7 P34969 1/20 0.32

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
SCHEMBL1395759 0.92 OPA1 (0.80) OPA1EIF5BMETHMOX2HPGD
SCHEMBL1720679 0.88 OPA1 (0.71) OPA1EIF5BMETHMOX2IDO1
SCHEMBL1395744 0.88 OPA1 (0.71) OPA1EIF5BMETHMOX2IDO1
SCHEMBL1720547 0.85 OPA1 (0.79) OPA1EIF5BMETHMOX2IDO1
SCHEMBL1395776 0.85 OPA1 (0.75) OPA1EIF5BMETHMOX2HPGD
Tivantinib SCHEMBL14865187 0.85 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL224883 0.85 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL44944 0.85 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL45306 0.85 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1
Tivantinib SCHEMBL44902 0.85 OPA1 (1.00) OPA1EIF5BMETHMOX2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US claimed
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-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-20130150310-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2013-06-13 US disclosed
EP-2396003-B1 A composition comprising (-)-trans-3-(5,6-dihydro-4h-pyrrolo [3,2,1-ij] quinolin-1-yl)-4-(1h-indol-3-yl) pyrrolidine-2, 5-dione in combination with sorafenib, sunitinib or erlotinib ARQULE INC (US) 2013-04-17 EP disclosed
US-8377927-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2013-02-19 US disclosed
EP-2289892-B1 Maleimide derivatives, pharmaceutical compositions amd methods for treatment of cancer ARQULE INC (US) 2012-08-22 EP disclosed
EP-1846406-B9 MALEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2012-01-11 EP disclosed
EP-2289892-A1 Maleimide derivatives, pharmaceutical compositions amd methods for treatment of cancer ArQule, Inc. (US) 2011-03-02 EP disclosed
US-20100297075-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-11-25 US disclosed
EP-1846406-B1 MALEIMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2010-11-03 EP disclosed
US-20100221251-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-09-02 US disclosed
US-7713969-B2 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. (US) 2010-05-11 US disclosed
US-20060223760-A1 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. 2006-10-05 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 (7 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-20100297075-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI OPA1 218/4885EIF5B 490/4885MET 1267/4885
US-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI OPA1 218/4885EIF5B 490/4885MET 1267/4885
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-20100221251-A1 Compositions and Methods for Treatment of Cancer PDCD5, TP53, NUP205 OPA1 27/4885EIF5B 341/4885MET 2940/4885
US-20130150310-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 OPA1 88/4885EIF5B 402/4885MET 2895/4885
US-20060223760-A1 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer MCL1, BRCA1, IDO1 OPA1 29/4885EIF5B 1690/4885MET 2849/4885

“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.