SCHEMBL3699402

SCHEMBL3699402

Cc1ccc(F)c(NC(=O)Nc2cccc3c2ccn3Cc2c[nH]c3ncccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
KDR P35968 13/20 0.42
FLT1 P17948 2/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
PDPK1 O15530 2/20 0.41
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
MTNR1A P48039 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL15053044 0.92 BRAF (0.43) BRAFKDRFLT1LCKCSF1R
SCHEMBL3707180 0.91 PDPK1 (0.42) BRAFPDPK1HTR1AHTR2AHTR7
SCHEMBL3703394 0.90 BRAF (0.38) BRAFKDRFLT1FLT4FLT3
SCHEMBL3699696 0.90 PDPK1 (0.41) BRAFPDPK1MAPTRAB9AHTR1A
Hydrochloric Acid SCHEMBL3697552 0.90 DRD4 (0.42) BRAFPDPK1HTR1AHTR2AHTR7
SCHEMBL3709520 0.90 PTGER3 (0.40) BRAFPDPK1HTR1AHTR2AHTR7
SCHEMBL3696979 0.90 MTNR1A (0.38) BRAFKDRFLT1PDPK1NPC1
SCHEMBL3704922 0.90 HTR1A (0.42) BRAFPDPK1NPC1MAPTRAB9A
SCHEMBL3705925 0.89 HTR1A (0.46) PDPK1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3707113 0.89 FGFR1 (0.46) PDPK1MAPTRAB9ASMN1; SMN2MEN1

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 BRAF 114/4885KDR 9/4885FLT1 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.