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SCHEMBL6358740

SCHEMBL6358740

CCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ OPRD1 P41143 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MGLL Q99685 3/20 0.34
▸ DGKA P23743 1/20 0.34
▸ DGKG P49619 1/20 0.34
▸ DGKB Q9Y6T7 1/20 0.34
▸ CCR5 P51681 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ AGTR1 P30556 1/20 0.33

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
SCHEMBL7100099 0.91 RAB9A (0.36) RAB9APAX8OPRD1MEN1KMT2A
SCHEMBL6916828 0.84 SMN1; SMN2 (0.35) —
SCHEMBL6804504 0.82 RAB9A (0.42) RAB9APAX8OPRD1MEN1KMT2A
SCHEMBL3579719 0.81 SMN1; SMN2 (0.38) —
SCHEMBL6356981 0.80 PDE5A (0.38) MAPT
SCHEMBL6358537 0.76 PDE5A (0.40) MAPT
SCHEMBL13500478 0.74 ALDH1A1 (0.35) MAPT
Bicarbonate SCHEMBL7386270 0.68 ALDH1A1 (0.42) MEN1KMT2APLA2G2AMAPT
Bicarbonate SCHEMBL7386267 0.68 ALDH1A1 (0.42) MEN1KMT2APLA2G2AMAPT
Bicarbonate SCHEMBL7386268 0.68 ALDH1A1 (0.42) MEN1KMT2APLA2G2AMAPT

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 5 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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 — — US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 RAB9A 1591/4885PAX8 2823/4885OPRD1 1412/4885
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof NOX4, VKORC1, DPYD RAB9A 1817/4885PAX8 2813/4885OPRD1 1547/4885
US-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A RAB9A 815/4885PAX8 4601/4885OPRD1 758/4885

“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.