SCHEMBL3703668

SCHEMBL3703668

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.39
MAP3K7 O43318 3/20 0.39
MAP4K2 Q12851 2/20 0.39
KLKB1 P03952 1/20 0.39
BTK Q06187 1/20 0.38
KDR P35968 5/20 0.38
FLT3 P36888 2/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
RAF1 P04049 1/20 0.37
FES P07332 1/20 0.37
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
FER P16591 1/20 0.37
EPHA2 P29317 1/20 0.37
EPHB2 P29323 1/20 0.37
CSK P41240 1/20 0.37
ABL2 P42684 1/20 0.37
EPHB4 P54760 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37

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
SCHEMBL3702243 0.91 BTK (0.44) MAPK14MAP3K7MAP4K2KLKB1BTK
SCHEMBL3706712 0.91 KDR (0.42) BTKKDRFLT3BRAFMAPT
SCHEMBL3698879 0.89 HTR2A (0.40) MAP4K4BRAFTRPV1ALDH1A1MAPT
SCHEMBL3701262 0.88 KDM4E (0.42) BTKKDRALDH1A1MAPT
SCHEMBL3709205 0.87 BRAF (0.41) MAP3K7BTKKDRBRAFCYP2C9
SCHEMBL3709456 0.87 MAP3K7 (0.42) MAP3K7BTKKDRLYNBRAF
SCHEMBL3703376 0.85 MAPT (0.41) MAP3K7BTKBRAFMETCIT
SCHEMBL3709668 0.85 KDR (0.52) MAPK14KDRBRAFTRPV1CDK8
SCHEMBL3698242 0.85 BRAF (0.46) MAPK14MAP3K7KDRBRAFTRPV1
SCHEMBL3694810 0.84 BRAF (0.49) MAPK14KDRBRAFTNNI3K

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 7 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
CN-102066372-B 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2014-09-17 CN disclosed
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 MAPK14 1905/4885MAP3K7 521/4885MAP4K2 637/4885

“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.