SCHEMBL3706712

SCHEMBL3706712

Cc1ccc(F)c(NC(=O)Nc2cccc3c2CCN3Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.42
BRAF P15056 1/20 0.39
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
PDGFRA P16234 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36

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
SCHEMBL15053898 0.92 KDR (0.41) KDRBRAFKITFLT3PDGFRA
SCHEMBL3696236 0.91 BRAF (0.38) KDRBRAFBTK
SCHEMBL3703668 0.91 MAPK14 (0.39) KDRBRAFFLT3MAPTBTK
SCHEMBL3709216 0.90 BRAF (0.38) KDRBRAFFLT3BTK
SCHEMBL3706468 0.90 BTK (0.42) KDRBRAFNPC1MAPTRAB9A
SCHEMBL3695077 0.90 KDR (0.39) KDRBRAFPDGFRARAB9ABTK
SCHEMBL3694810 0.89 BRAF (0.49) KDRBRAF
SCHEMBL3701262 0.89 KDM4E (0.42) KDRMAPTPKMRAB9ASMN1; SMN2
SCHEMBL3697432 0.89 HTR1A (0.44) KDRBRAFKITFLT3NPC1
SCHEMBL3709205 0.89 BRAF (0.41) KDRBRAFBTK

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 6 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
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 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
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN 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 9/4885BRAF 114/4885KIT 7/4885

“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.