SCHEMBL1720158

SCHEMBL1720158

O=C1NC(=O)[C@H](c2cn3c4c(cccc24)CCC3)[C@H]1c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.66
EIF5B O60841 1/20 0.66
MET P08581 1/20 0.66
HMOX2 P30519 1/20 0.66
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MTNR1A P48039 7/20 0.37
MTNR1B P49286 7/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL1395828 0.90 OPA1 (0.73) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL5307336 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395726 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395827 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395821 0.89 OPA1 (0.66) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL15872111 0.86 OPA1 (0.63) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395775 0.86 OPA1 (0.63) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395847 0.85 OPA1 (0.61) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1720547 0.83 OPA1 (0.79) OPA1EIF5BMETHMOX2HTR2A
SCHEMBL1395825 0.83 OPA1 (0.64) 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 17 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
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.