SCHEMBL3050471

SCHEMBL3050471

C=CCn1cc(C(=O)C(=O)OC)c2cccc(Br)c21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRPS1 P60891 2/20 0.47
▸ CNR1 P21554 2/20 0.39
▸ NR4A2 P43354 1/20 0.37
▸ KRAS P01116 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL10236175 0.72 ALDH1A1 (0.43) ALDH1A1POLBRXFP1HPGDNPC1
SCHEMBL12808514 0.71 NR4A2 (0.47) NR4A2CNR2POLBGAABRD4
SCHEMBL13013259 0.69 NR4A2 (0.53) CNR1NR4A2ALDH1A1CNR2POLB
SCHEMBL2042835 0.68 CNR1 (0.46) PRPS1CNR1ALDH1A1CNR2GAA
SCHEMBL6098691 0.67 CNR2 (0.60) CNR1NR4A2ALDH1A1CNR2POLB
SCHEMBL20380141 0.67 NR4A2 (0.55) CNR1NR4A2CNR2POLBGAA
SCHEMBL24143088 0.67 CNR1 (0.39) PRPS1CNR1ALDH1A1CNR2GAA
SCHEMBL13166897 0.67 NR4A2 (0.54) CNR1NR4A2ALDH1A1CNR2POLB
SCHEMBL20604971 0.66 TDP1 (0.56) PRPS1CNR1NR4A2ALDH1A1RXFP1
SCHEMBL6030646 0.65 CNR1 (0.62) CNR1NR4A2ALDH1A1CNR2POLB

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 38 patents — showing the first 20. 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-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 — — US disclosed
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-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 — — 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-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 — — 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-20100297075-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-11-25 — — US disclosed
US-20100297075-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-11-25 — — US disclosed
US-20100221251-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-09-02 — — US disclosed
US-20100221251-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-09-02 — — US disclosed
US-20100221251-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-09-02 — — US disclosed
WO-2010093789-A2 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-08-19 — — WO 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-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-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 (5 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 PRPS1 1895/4885CNR1 3001/4885NR4A2 3410/4885
US-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI PRPS1 1895/4885CNR1 3001/4885NR4A2 3410/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 PRPS1 1445/4885CNR1 2209/4885NR4A2 4060/4885
US-20100221251-A1 Compositions and Methods for Treatment of Cancer PDCD5, TP53, NUP205 PRPS1 1518/4885CNR1 1930/4885NR4A2 4100/4885
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 PRPS1 3346/4885CNR1 203/4885NR4A2 3653/4885

“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.

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