SCHEMBL16336369

SCHEMBL16336369

COC(=O)c1cc(Br)nc(N)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
NQO2 P16083 6/20 0.45
GAA P10253 5/20 0.43
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CFTR P13569 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL26040458 0.81 NQO2 (0.46) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL31264183 0.77 KDM4E (0.46) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL143872 0.77 KDM4E (0.46) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL31267853 0.75 L3MBTL1 (0.41) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL18555299 0.75 KDM4E (0.46) ABL1GAAKDM4EALDH1A1HPGD
SCHEMBL1424864 0.74 NQO2 (0.45) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL26918326 0.74 ABL1 (0.45) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL29875394 0.74 ABL1 (0.45) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL21527278 0.73 ABL1 (0.47) ABL1NQO2GAAKDM4EALDH1A1
SCHEMBL13280601 0.73 ABL1 (0.51) ABL1NQO2GAAKDM4EALDH1A1

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-9179676-B2 Substituted picolinic acids and pyrimidine-4-carboxylic acids, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-20150005165-A1 SUBSTITUTED PICOLINIC ACIDS AND PYRIMIDINE-4-CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 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 (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-20150005165-A1 SUBSTITUTED PICOLINIC ACIDS AND PYRIMIDINE-4-CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS HPD, DHFR, PAH ABL1 1547/4885NQO2 139/4885GAA 817/4885

“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.