SCHEMBL2133158

SCHEMBL2133158

C=Cc1c(NCc2ncccc2C)cc(Cl)nc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.40
ADORA1 P30542 13/20 0.38
JAK3 P52333 1/20 0.38
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
BRD4 O60885 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 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
SCHEMBL2140518 0.91 MAPK1 (0.36) ADORA2AADORA1BRD4
SCHEMBL2136669 0.86 ADORA2A (0.43) ADORA2AADORA1JAK3IGF1RFGFR1
SCHEMBL2137520 0.85 ADORA2A (0.41) ADORA2AADORA1JAK3IGF1RFGFR1
SCHEMBL2135378 0.85 ABL1 (0.44) BRD4
SCHEMBL2135041 0.81 F2 (0.45) CDK2
SCHEMBL2134202 0.81 ABL1 (0.44)
SCHEMBL10206349 0.80 MAPT (0.42) BRD4
SCHEMBL2136769 0.79 CD38 (0.42)
SCHEMBL2683381 0.78 ACLY (0.37) ADORA2AADORA1JAK3CDK2CDK9
SCHEMBL2136290 0.78 SMN1; SMN2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445884-B1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2013-02-13 EP disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
US-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-04-26 US disclosed
WO-2010149956-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-12-29 WO 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-20120100990-A1 4 -AMINOPICOLINATES AND THEIR USE AS HERBICIDES DDT, DAO, NPM1 ADORA2A 2623/4885ADORA1 2272/4885JAK3 3067/4885

“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.