SCHEMBL21922389

SCHEMBL21922389

CC(C)c1ccc(OCc2cncc(C#N)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.46
▸ CD274 Q9NZQ7 13/20 0.39
▸ PDCD1 Q15116 10/20 0.39
▸ GRM5 P41594 3/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36

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 0.84 GABRG2 (0.46) ENPP2GRM5GABRG2GABRB3GABRA5
SCHEMBL21922387 0.77 ENPP2 (0.51) ENPP2GRM5
SCHEMBL21922353 0.76 ENPP2 (0.46) ENPP2CD274PDCD1GRM5
SCHEMBL19764850 0.72 CD274 (0.38) ENPP2CD274PDCD1GRM5
SCHEMBL21922352 0.72 GAA (0.53) —
SCHEMBL32930882 0.72 GRM5 (0.39) ENPP2CD274PDCD1GRM5CYP11B1
SCHEMBL21922388 0.70 ENPP2 (0.42) ENPP2CYP11B1
SCHEMBL17490807 0.70 GRM5 (0.52) ENPP2CD274PDCD1GRM5CYP11B1
SCHEMBL26581171 0.70 MAOB (0.41) —
SCHEMBL21923115 0.69 LOX (0.49) ENPP2GRM5

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 1/4885CD274 3600/4885PDCD1 3074/4885

“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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