SCHEMBL21922387

SCHEMBL21922387

CC(C)c1ccc(OCc2cc(C#N)cc(OC(F)(F)F)c2)nn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.51
▸ S1PR1 P21453 5/20 0.39
▸ NOS3 P29474 5/20 0.34
▸ NOS1 P29475 5/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ PGR P06401 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
SCHEMBL21923110 0.78 GABRG2 (0.46) ENPP2MRGPRX4GRM5
SCHEMBL21922389 0.77 ENPP2 (0.46) ENPP2GRM5
SCHEMBL21923113 0.74 ENPP2 (0.46) ENPP2
SCHEMBL21922353 0.73 ENPP2 (0.46) ENPP2GRM5
SCHEMBL22186143 0.69 ALDH1A1 (0.30) —
SCHEMBL1993677 0.68 PGR (0.44) S1PR1SCN5ASCN9APGR
SCHEMBL932624 0.67 S1PR1 (0.37) ENPP2S1PR1SCN5ASCN9APGR
SCHEMBL21922352 0.67 GAA (0.53) —
SCHEMBL931898 0.67 FFAR4 (0.43) ENPP2S1PR1SCN5ASCN9AGRM5
SCHEMBL17125226 0.67 PGR (0.39) SCN5ASCN9AGRM5PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 — — 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-20200131151-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885S1PR1 1015/4885NOS3 4372/4885

“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.

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