SCHEMBL3709216

SCHEMBL3709216

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.38
BTK Q06187 7/20 0.36
FPR2 P25090 1/20 0.35
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
MET P08581 3/20 0.35
KDR P35968 3/20 0.34
MAP3K7 O43318 1/20 0.34
FLT3 P36888 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL15053835 0.92 BRAF (0.37) BRAFBTKFPR2METKDR
SCHEMBL3696236 0.91 BRAF (0.38) BRAFBTKMETKDRJAK2
SCHEMBL3706712 0.90 KDR (0.42) BRAFBTKKDRFLT3
SCHEMBL3706468 0.90 BTK (0.42) BRAFBTKMETKDRJAK2
SCHEMBL3694810 0.89 BRAF (0.49) BRAFKDR
SCHEMBL3698215 0.89 HTR2A (0.44) BRAFAKR1B10AKR1B1CYP1A2CYP3A4
SCHEMBL3703979 0.89 STING1 (0.42) BRAFBTKMAP3K7CYP1A2CYP3A4
SCHEMBL3709593 0.88 MAP3K7 (0.40) BRAFBTKFPR2METKDR
SCHEMBL3706782 0.88 KDR (0.38) BTKMETKDRMAP3K7
SCHEMBL3695077 0.88 KDR (0.39) BRAFBTKMETKDRMAP3K7

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 38/4885FPR2 1150/4885

“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.