SCHEMBL7687941

SCHEMBL7687941

C=CC(C)Nc1nc(NC(C)C=C)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.44
EGFR P00533 1/20 0.43
PIN1 Q13526 11/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL7687341 0.90 SMN1; SMN2 (0.45) ABCG2PIN1ALDH1A1POLB
SCHEMBL7681321 0.89 KMT2A (0.50) ABCG2EGFRPIN1ALDH1A1
SCHEMBL7681050 0.89 PIN1 (0.44) ABCG2PIN1ALDH1A1POLB
SCHEMBL7681397 0.87 HPGD (0.51) EGFRPIN1ALDH1A1POLB
SCHEMBL7683028 0.80 PIN1 (0.45) ABCG2PIN1ALDH1A1POLBKCNH3
Hydrochloric Acid SCHEMBL7681512 0.79 SMN1; SMN2 (0.46) ABCG2PIN1ALDH1A1POLBKCNH3
Hydrochloric Acid SCHEMBL7687978 0.77 LMNA (0.45) PIN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL7687987 0.77 PIN1 (0.44) PIN1ALDH1A1POLB
SCHEMBL7683188 0.74 KMT2A (0.55) ABCG2EGFRPIN1ALDH1A1KCNH3
SCHEMBL7681285 0.73 MEN1 (0.52) ABCG2PIN1ALDH1A1POLB

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 ABCG2 2669/4885EGFR 4566/4885PIN1 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.