SCHEMBL10106233

SCHEMBL10106233

[C-]#[N+]c1ccc(Nc2ncnc(Cl)c2F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.39
SRC P12931 1/20 0.36
DYRK1A Q13627 4/20 0.35
DYRK1B Q9Y463 4/20 0.35
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
LRRK2 Q5S007 1/20 0.33
LMNA P02545 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
EPHB2 P29323 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
TTBK1 Q5TCY1 1/20 0.32
TTBK2 Q6IQ55 1/20 0.32
DYRK3 O43781 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 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
SCHEMBL10106454 0.82 DHODH (0.33) EGFR
SCHEMBL10105808 0.81 GPR119 (0.41) EGFRSRCDYRK1ADYRK1BLMNA
SCHEMBL10116417 0.81 GPR119 (0.37) EGFRSRCDYRK1ADYRK1BLMNA
SCHEMBL10106231 0.77 GPR119 (0.46) GPR119
SCHEMBL10120893 0.76 GPR119 (0.50) LRRK2GPR119
SCHEMBL10106253 0.74 GPR119 (0.44) GPR119KDR
SCHEMBL10116322 0.74 SRC (0.36) EGFRSRCDYRK1ADYRK1BRAF1
SCHEMBL12277072 0.74 GPR119 (0.60) GPR119
SCHEMBL10106459 0.73 GRM4 (0.33) EGFRLRRK2FGFR1FLT1EPHB2
SCHEMBL10106291 0.72 GPR119 (0.49) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 (2 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R EGFR 1644/4885SRC 2186/4885DYRK1A 2188/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 EGFR 2717/4885SRC 3449/4885DYRK1A 3226/4885

“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.