SCHEMBL7683602

SCHEMBL7683602

C=CCNc1nc(N)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
PIN1 Q13526 5/20 0.43
PDE5A O76074 4/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL7681285 0.88 MEN1 (0.52) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7678891 0.85 KMT2A (0.53) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7687475 0.84 PIN1 (0.48) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7687847 0.84 PIN1 (0.49) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7685816 0.83 LMNA (0.49) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7681414 0.81 PIN1 (0.49) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7683028 0.81 PIN1 (0.45) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7685360 0.81 PIN1 (0.41) PIN1PDE5ANPC1LMNAMAPT
SCHEMBL7681440 0.81 SMN1; SMN2 (0.55) PIN1LMNAMAPTSMN1; SMN2ABCG2
SCHEMBL7682983 0.81 PIN1 (0.46) PIN1PDE5ANPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 EP 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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT CCNA2 498/4885CDK2 323/4885PIN1 3705/4885

“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.