SCHEMBL2875778

SCHEMBL2875778

O=C1NCC(c2c[nH]c3ccccc23)=C1c1cn2c3c(cccc13)CCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPA1 O60313 1/20 0.52
EIF5B O60841 1/20 0.52
MET P08581 1/20 0.52
HMOX2 P30519 1/20 0.52
CDK4 P11802 6/20 0.47
CCND1 P24385 6/20 0.47
PLK4 O00444 3/20 0.46
AURKA O14965 3/20 0.46
FLT4 P35916 3/20 0.46
KDR P35968 3/20 0.46
FLT3 P36888 3/20 0.46
AURKB Q96GD4 3/20 0.46
SRC P12931 3/20 0.46
TEK Q02763 2/20 0.46
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
PDGFRB P09619 1/20 0.46
MAP3K8 P41279 1/20 0.46
PTK2 Q05397 1/20 0.46

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
SCHEMBL2879802 0.96 OPA1 (0.52) OPA1EIF5BMETHMOX2CDK4
SCHEMBL224940 0.85 CDK4 (0.61) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6329959 0.82 CDK4 (0.60) OPA1EIF5BMETHMOX2CDK4
SCHEMBL6325214 0.82 SIRT2 (0.60) OPA1EIF5BMETHMOX2CDK4
SCHEMBL2881681 0.81 CDK4 (0.54) OPA1EIF5BMETHMOX2CDK4
SCHEMBL1395793 0.80 OPA1 (0.52) OPA1EIF5BMETHMOX2CDK4
SCHEMBL18826942 0.79 PLK4 (0.41) OPA1EIF5BMETHMOX2CDK4
SCHEMBL2343710 0.79 CDK4 (0.63) OPA1EIF5BMETHMOX2CDK4
SCHEMBL15348911 0.79 OPA1 (0.53) OPA1EIF5BMETHMOX2CDK4
SCHEMBL2018580 0.78 OPA1 (0.53) OPA1EIF5BMETHMOX2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170870-B1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2014-03-05 EP disclosed
EP-2170870-B1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2014-03-05 EP disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 US disclosed
EP-2170870-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ArQule, Inc. (US) 2010-04-07 EP disclosed
WO-2009002806-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 WO disclosed
WO-2009002806-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 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 (1 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-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer PYCR1, DHPS, TYMP OPA1 466/4885EIF5B 158/4885MET 3054/4885

“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.