SCHEMBL3702005

SCHEMBL3702005

CC(C)(C)OC(=O)n1cc(Cn2ccc3c(NC(=O)Nc4cccc(Br)c4)cccc32)c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.44
TRPV1 Q8NER1 2/20 0.37
ELANE P08246 1/20 0.37
EPHB4 P54760 2/20 0.37
STING1 Q86WV6 1/20 0.35
KDR P35968 2/20 0.35
AKT1 P31749 1/20 0.35
TEK Q02763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
AURKB Q96GD4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIK1 P39086 1/20 0.34

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
SCHEMBL3704782 0.91 ELANE (0.42) PTGER3ELANEAKT1KDM4EMAPT
SCHEMBL3702550 0.90 PTGER3 (0.47) PTGER3TRPV1KDM4EMAPTRAB9A
SCHEMBL3710717 0.86 PTGER3 (0.41) PTGER3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3708155 0.85 P2RY1 (0.44)
SCHEMBL3701028 0.83 FPR2 (0.41) PTGER3KDRAKT1KDM4ENPC1
SCHEMBL3712537 0.83 MEN1 (0.46) KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL3700867 0.83 IGF1R (0.46) EPHB4MAPT
SCHEMBL4569777 0.82 AKT1 (0.38) PTGER3AKT1KDM4EMAPTRAB9A
SCHEMBL3706703 0.80 L3MBTL1 (0.41) ELANEL3MBTL1
SCHEMBL3706989 0.79 PTGER3 (0.47) PTGER3TRPV1EPHB4STING1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066372-B 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2014-09-17 CN 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 PTGER3 2307/4885TRPV1 4841/4885ELANE 2008/4885

“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.