SCHEMBL21187496

SCHEMBL21187496

Cc1ccnc(Nc2c(N)cc(F)cc2F)c1-c1ccc(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 1/20 0.34
JAK2 O60674 1/20 0.34
DHODH Q02127 3/20 0.33
HSD11B1 P28845 1/20 0.33
TDO2 P48775 1/20 0.33
MAPK14 Q16539 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
SLC34A1 Q06495 2/20 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
SCHEMBL21187487 0.93 TDO2 (0.35) NISCHALDH1A1CACNA1BAPBA1CYP17A1
SCHEMBL21187440 0.85 SLC34A1 (0.35) CYP17A1JAK2HSD11B1SLC34A1
SCHEMBL22599079 0.83 ATM (0.36) ALDH1A1CYP1A2JAK2DHODHMAPK14
SCHEMBL21187443 0.81 TDO2 (0.35) NISCHALDH1A1CYP17A1JAK2TDO2
SCHEMBL21187441 0.79 RAPGEF4 (0.35) HSD11B1TDO2MAPK14
SCHEMBL22599011 0.79 S1PR4 (0.36) ALDH1A1CYP1A2DHODHHSD11B1MAPK14
SCHEMBL21187575 0.79 EGFR (0.36) HSD11B1TDO2SLC34A1
SCHEMBL21187483 0.77 RAPGEF4 (0.39) DHODH
SCHEMBL21187438 0.75 HSD11B1 (0.42) NISCHCYP17A1CYP1A2HSD11B1MAPK14
SCHEMBL21187476 0.73 HSD11B1 (0.43) NISCHCYP17A1CYP1A2HSD11B1MAPK14

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
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 NISCH 98/4885ALDH1A1 506/4885CACNA1B 1229/4885

“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.