SCHEMBL2349685

SCHEMBL2349685

O=C1NC(=O)C(c2c[nH]c3ccc(Br)cc23)=C1c1cc2c3c(ccn3CCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.51
IGF1R P08069 4/20 0.51
PDGFRB P09619 4/20 0.51
KIT P10721 4/20 0.51
PDGFRA P16234 4/20 0.51
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
TEK Q02763 4/20 0.51
EGFR P00533 3/20 0.51
ERBB2 P04626 3/20 0.51
CAMK2D Q13557 5/20 0.46
SLC6A4 P31645 1/20 0.39
PRKCB P05771 6/20 0.38
PRKCA P17252 6/20 0.38
PRKCH P24723 6/20 0.38
PRKCE Q02156 6/20 0.38
PRKCQ Q04759 6/20 0.38
PRKCD Q05655 6/20 0.38
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38

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
SCHEMBL2349161 0.88 PRKCA (0.51) KDRIGF1RPDGFRBKITPDGFRA
SCHEMBL2343879 0.81 KDR (0.54) KDRIGF1RPDGFRBKITPDGFRA
SCHEMBL1395823 0.77 CAMK2D (0.56) KDRIGF1RPDGFRBKITPDGFRA
SCHEMBL2340281 0.75 GSK3B (0.43) PRKCBPRKCAPRKCQGSK3B
SCHEMBL7826604 0.74 KDR (0.68) KDRIGF1RPDGFRBKITPDGFRA
SCHEMBL2362243 0.73 OPA1 (0.48) SLC6A4CDK4CCND1CDK2CCNE2
SCHEMBL13241003 0.73 OPA1 (0.48) SLC6A4CDK4CCND1CDK2CCNE2
SCHEMBL2344815 0.70 GSK3B (0.44) PRKCAGSK3B
SCHEMBL6327465 0.70 CDK4 (0.56) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL6030138 0.69 CAMK2D (0.61) KDRIGF1RPDGFRBKITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
EP-2392574-A1 Indolyl pyrrolidines for the treatment of cancer ArQule, Inc. (US) 2011-12-07 EP disclosed
EP-2173748-B1 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE INC (US) 2011-08-31 EP disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
EP-2173748-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ArQule, Inc. (US) 2010-04-14 EP disclosed
WO-2009002807-A2 INDOLYL PYRROLIDINES FOR THE 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-20100183603-A1 Compositions and Methods for the Treatment of Cancer MKI67, POLI, DHPS KDR 3409/4885IGF1R 1723/4885PDGFRB 2463/4885

“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.