SCHEMBL7679071

SCHEMBL7679071

C=CCNc1nc(NCC=C)c2cc(N)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUMO3 P55854 1/20 0.49
SUMO2 P61956 1/20 0.49
SUMO1 P63165 1/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
MTOR P42345 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
NPY1R P25929 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGFR P00533 3/20 0.41
HTR2A P28223 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL7687770 0.82 SUMO3 (0.49) SUMO3SUMO2SUMO1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7687738 0.79 SUMO3 (0.46) SUMO3SUMO2SUMO1KDM4EALDH1A1
SCHEMBL9287754 0.78 SUMO3 (0.72) SUMO3SUMO2SUMO1KDM4EALDH1A1
SCHEMBL7681285 0.77 MEN1 (0.52) SUMO3SUMO2SUMO1ALDH1A1LMNA
SCHEMBL7687847 0.72 PIN1 (0.49) SUMO3SUMO2SUMO1ALDH1A1LMNA
SCHEMBL7683590 0.71 PIN1 (0.48) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL7688166 0.71 PIN1 (0.48) SUMO3SUMO2SUMO1ALDH1A1LMNA
SCHEMBL7688168 0.71 PIN1 (0.48) SUMO3SUMO2SUMO1ALDH1A1LMNA
SCHEMBL7684157 0.71 PIN1 (0.48) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL7687815 0.71 LMNA (0.49) ALDH1A1LMNAHPGDHTTKMT2A

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 SUMO3 4465/4885SUMO2 4430/4885SUMO1 3876/4885

“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.