SCHEMBL15053835

SCHEMBL15053835

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3cc(Br)ccc3F)cccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.37
BTK Q06187 10/20 0.35
FPR2 P25090 1/20 0.34
MET P08581 3/20 0.34
MAP3K7 O43318 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
ITK Q08881 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SHMT2 P34897 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BMX P51813 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL3709216 0.92 BRAF (0.38) BRAFBTKFPR2METMAP3K7
SCHEMBL15054097 0.91 BRAF (0.38) BRAFBTKMETMAP3K7JAK2
Hydrochloric Acid SCHEMBL15053595 0.91 BRAF (0.37) BRAFBTKMETMAP3K7JAK2
SCHEMBL15053898 0.91 KDR (0.41) BRAFBTKKDRFLT3
SCHEMBL15053943 0.90 BTK (0.41) BRAFBTKMETITKCYP1A2
SCHEMBL15053740 0.89 BRAF (0.48) BRAFKDRCYP2C9
SCHEMBL15052967 0.89 HTR2A (0.39) BRAFCYP1A2CYP3A4SHMT2
SCHEMBL15054385 0.89 STING1 (0.41) BRAFBTKMAP3K7ITKCYP1A2
SCHEMBL15053103 0.89 MAP3K7 (0.39) BRAFBTKFPR2METMAP3K7
SCHEMBL15053476 0.89 KDR (0.39) BRAFBTKMETMAP3K7KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 BRAF 90/4885BTK 337/4885FPR2 3916/4885

“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.