SCHEMBL7679176

SCHEMBL7679176

C=CCNc1nc(NCC=C)c2scc(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 8/20 0.44
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SUMO3 P55854 1/20 0.39
SUMO2 P61956 1/20 0.39
SUMO1 P63165 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7681226 0.88 HTR2C (0.46) PRKCISMN1; SMN2KDM4ELMNAHTT
SCHEMBL7678942 0.78 KMT2A (0.39) TSHRMAPK1SUMO3SUMO2SUMO1
SCHEMBL7687992 0.78 PRKCI (0.41) PRKCISMN1; SMN2KDM4ELMNAHTT
SCHEMBL7687480 0.77 PRKCI (0.42) PRKCIMAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL7681448 0.76 RAD52 (0.42) PRKCIKDM4ELMNAALDH1A1KMT2A
SCHEMBL7687380 0.76 PRKCI (0.36) PRKCITSHRMAPK1SUMO3SUMO2
SCHEMBL7687375 0.76 PRKCI (0.36) PRKCITSHRMAPK1SUMO3SUMO2
SCHEMBL7683161 0.75 MEN1 (0.37) TSHRMAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL7682948 0.74 CYP1A2 (0.36) PRKCITSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL7683912 0.73 MEN1 (0.36) TSHRMAPK1SMN1; SMN2KDM4ELMNA

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 PRKCI 2876/4885TSHR 3103/4885MAPK1 1135/4885

“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.