SCHEMBL3696236

SCHEMBL3696236

O=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1CCN2Cc1ccnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.38
BTK Q06187 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
MET P08581 2/20 0.36
AKT2 P31751 2/20 0.36
GRIK1 P39086 1/20 0.35
AKT1 P31749 2/20 0.35
KDR P35968 1/20 0.35
GOT1 P17174 1/20 0.35
NUDT1 P36639 1/20 0.34
PPIF P30405 1/20 0.34

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
SCHEMBL15054097 0.92 BRAF (0.38) BRAFBTKMAPK1NPSR1MEN1
Hydrochloric Acid SCHEMBL15053595 0.91 BRAF (0.37) BRAFBTKMAPK1NPSR1MEN1
SCHEMBL3706712 0.91 KDR (0.42) BRAFBTKKDR
SCHEMBL3709216 0.91 BRAF (0.38) BRAFBTKJAK2JAK1MET
SCHEMBL3706468 0.91 BTK (0.42) BRAFBTKMAPK1NPSR1KMT2A
SCHEMBL3694810 0.90 BRAF (0.49) BRAFKDR
SCHEMBL3703875 0.89 BRAF (0.47) BRAFBTKMEN1KMT2AGOT1
SCHEMBL3709377 0.89 MAPT (0.41) BRAFBTKJAK2JAK1TYK2
SCHEMBL3707818 0.89 ALDH1A1 (0.46) MAPK1MEN1KMT2AKDR
SCHEMBL3695077 0.89 KDR (0.39) BRAFBTKMEN1KMT2AMET

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 BRAF 114/4885BTK 38/4885MAPK1 1233/4885

“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.