SCHEMBL3699203

SCHEMBL3699203

Cc1c(F)cccc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.37
KLKB1 P03952 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 2/20 0.35
CDC7 O00311 1/20 0.35
AURKA O14965 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL3702800 0.99 BRAF (0.38) BRAFJAK2JAK1TYK2KDM4E
SCHEMBL3706837 0.93 PTGER3 (0.42) BRAFJAK2JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL3697364 0.92 PTGER3 (0.41) BRAFJAK2JAK1TYK2KDM4E
SCHEMBL3697488 0.90 JAK2 (0.37) BRAFJAK2JAK1TYK2ALDH1A1
SCHEMBL3701969 0.90 JAK2 (0.45) BRAFJAK2JAK1TYK2KDM4E
SCHEMBL3697706 0.90 KDR (0.44) BRAFSMN1; SMN2KDRCSF1RFLT4
SCHEMBL3709308 0.89 PTGER3 (0.42) BRAFJAK2JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL3708074 0.88 PTGER3 (0.41) BRAFJAK2JAK1TYK2KDM4E
SCHEMBL3705887 0.88 JAK2 (0.43) BRAFJAK2JAK1TYK2KDM4E
SCHEMBL28790687 0.88 TP53 (0.37) BRAFJAK2JAK1TYK2MEN1

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 BRAF 114/4885JAK2 37/4885JAK1 92/4885

“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.