SCHEMBL6358537

SCHEMBL6358537

CCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CNC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6356981 0.84 PDE5A (0.38) PDE5ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3579719 0.83 SMN1; SMN2 (0.38) PDE5ASMN1; SMN2
SCHEMBL6916828 0.82 SMN1; SMN2 (0.35) PDE5ASMN1; SMN2
SCHEMBL13500478 0.78 ALDH1A1 (0.35) PDE5ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6358740 0.76 RAB9A (0.42) MAPT
SCHEMBL6200618 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL6442557 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPT
SCHEMBL6629620 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPT
SCHEMBL27492967 0.72 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPT
SCHEMBL5409423 0.71 SMN1; SMN2 (0.36) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC 2005-06-30 US disclosed
US-6809200-B2 REACTING 5-ACETYL-N-(3-(AMINOCARBONYL)-5-ETHYL-1-(1-ETHYL-3-AZETIDINYL)-1H-PYRAZOL4 -YL)-2-ETHOXYNICOTINAMIDE, IN PRESENCE OF ALCOHOL OR ALKOXY COMPOUND AND A HYDROXIDE TRAPPING AGENT OR BASE PFIZER INC. 2004-10-26 US disclosed
US-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC. 2002-03-28 US disclosed
CN-1335317-A Process for producing pyrazolo [4,3-d] pyrimidine-7-ketonic compound and its intermediate PFIZER (US) 2002-02-13 CN 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 (2 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-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof DPYD, HPRT1, SAMHD1 PDE5A 1809/4885SMN1; SMN2 2390/4885ALDH1A1 480/4885
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof NOX4, VKORC1, DPYD PDE5A 1588/4885SMN1; SMN2 2682/4885ALDH1A1 935/4885

“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.