SCHEMBL3701028

SCHEMBL3701028

CC(C)(C)OC(=O)n1ccc2c(Cn3ccc4c(NC(=O)Nc5ccc(Br)cc5)cccc43)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.41
AKT1 P31749 1/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
PTGER3 P43115 3/20 0.35
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 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
SCHEMBL4569777 0.93 AKT1 (0.38) AKT1PTGER3MEN1MAPTKMT2A
SCHEMBL3704487 0.91 TRPV1 (0.42) FPR2AKT1MEN1MAPTKMT2A
SCHEMBL3704782 0.84 ELANE (0.42) AKT1PTGER3MEN1MAPTKMT2A
SCHEMBL3702005 0.83 PTGER3 (0.44) AKT1KDRPTGER3MAPTNPC1
SCHEMBL3701869 0.82 IGF1R (0.41) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL3698821 0.81 L3MBTL1 (0.36) AKT1KDR
SCHEMBL3708155 0.81 P2RY1 (0.44)
SCHEMBL3707972 0.79 KDR (0.41) FPR2FLT1KDRMEN1MAPT
SCHEMBL3702550 0.78 PTGER3 (0.47) PTGER3MEN1MAPTKMT2ARAB9A
Hydrochloric Acid SCHEMBL3707328 0.78 KDR (0.41) FPR2FLT1KDRMEN1MAPT

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 FPR2 1150/4885AKT1 113/4885FLT1 5/4885

“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.