SCHEMBL21922353

SCHEMBL21922353

CC(C)c1ccc(OCc2ccnc(C#N)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.46
▸ GRM5 P41594 4/20 0.39
▸ PRKDC P78527 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ PDCD1 Q15116 6/20 0.32
▸ CD274 Q9NZQ7 6/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PANK3 Q9H999 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL21923115 0.80 LOX (0.49) ENPP2GRM5GAAPDE2AAAK1
SCHEMBL21923110 0.80 GABRG2 (0.46) ENPP2GRM5
SCHEMBL21922389 0.76 ENPP2 (0.46) ENPP2GRM5PDCD1CD274
SCHEMBL21922387 0.73 ENPP2 (0.51) ENPP2GRM5
SCHEMBL21922352 0.73 GAA (0.53) GAA
SCHEMBL1145730 0.73 GRM5 (0.41) ENPP2GRM5PRKDCPDCD1CD274
SCHEMBL26581171 0.71 MAOB (0.41) GAA
SCHEMBL4016988 0.70 GRM5 (0.38) ENPP2GRM5PRKDCPDCD1CD274
SCHEMBL5983583 0.70 AAK1 (0.40) AAK1PRMT5WDR77
SCHEMBL1145726 0.70 GRM5 (0.39) ENPP2GRM5PRKDCPDCD1CD274

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 1/4885GRM5 1894/4885PRKDC 4440/4885

“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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