SCHEMBL3706782

SCHEMBL3706782

COc1ccc(Br)cc1NC(=O)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
BTK Q06187 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MAP3K7 O43318 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CIT O14578 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MET P08581 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
SCHEMBL15053476 0.92 KDR (0.39) KDREPHB4TEKBTKIRAK4
SCHEMBL3707580 0.92 MEN1 (0.44) KDRBTKMAP3K7KDM4EMAPT
SCHEMBL3701262 0.92 KDM4E (0.42) KDRBTKKDM4EMAPTMEN1
SCHEMBL3707818 0.91 ALDH1A1 (0.46) KDREPHB4KDM4EMAPTMEN1
SCHEMBL3705933 0.91 KMT2A (0.39) KDRBTKMAP3K7KDM4EMAPT
SCHEMBL3699717 0.90 BTK (0.44) KDRBTKMAP3K7KDM4EMAPT
Hydrochloric Acid SCHEMBL3699244 0.90 ALDH1A1 (0.45) KDREPHB4KDM4EMAPTMEN1
SCHEMBL3706455 0.89 HTR1A (0.46) KDREPHB4TEKIRAK4KDM4E
SCHEMBL3709216 0.88 BRAF (0.38) KDRBTKMAP3K7MET
SCHEMBL3703979 0.86 STING1 (0.42) BTKMAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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 (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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 KDR 9/4885EPHB4 33/4885TEK 23/4885

“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.