SCHEMBL2887786

SCHEMBL2887786

COc1ccc(Br)cc1NC(=O)Nc1c(C)ccc2c1ncn2Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
NPY1R P25929 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ERBB4 Q15303 1/20 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
SCHEMBL2886220 0.87 KDR (0.45) KDREPHB4TEKMEN1KMT2A
SCHEMBL2889242 0.87 EPHB4 (0.49) KDREPHB4TEKMEN1KMT2A
SCHEMBL5669752 0.85 ERBB4 (0.45) KDREPHB4TEKMEN1KMT2A
SCHEMBL2888403 0.84 MAPT (0.42) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL5959824 0.80 KDR (0.46) KDREPHB4TEKMEN1KMT2A
SCHEMBL5585985 0.78 EPHB4 (0.45) KDREPHB4TEKMEN1KMT2A
SCHEMBL5636353 0.78 KDR (0.46) KDREPHB4TEKMEN1KMT2A
SCHEMBL5592619 0.78 EPHB4 (0.44) KDREPHB4TEKMEN1KMT2A
SCHEMBL5592502 0.77 EPHB4 (0.49) KDREPHB4TEKMEN1KMT2A
SCHEMBL5592770 0.76 ERBB4 (0.56) KDREPHB4TEKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US claimed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US claimed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO claimed
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-11-30 US claimed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-11-30 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 (2 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-20060270702-A1 Certain substituted ureas, as modulators of kinase activity UCK2, CHUK, TK1 KDR 47/4885EPHB4 2792/4885TEK 281/4885
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY UCK2, CHUK, TK1 KDR 47/4885EPHB4 2792/4885TEK 281/4885

“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.