SCHEMBL7683034

SCHEMBL7683034

CCCCNc1nc(Cl)nc2c(C)csc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.46
TLR8 Q9NR97 7/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR7 Q9NYK1 3/20 0.36
NR4A2 P43354 1/20 0.36
ESR1 P03372 1/20 0.36
SLC29A1 Q99808 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7687751 0.96 PRKCI (0.45) PRKCITLR8KDM4ENPSR1L3MBTL1
SCHEMBL7680936 0.95 PRKCI (0.44) PRKCITLR8KDM4ENPSR1L3MBTL1
SCHEMBL7677206 0.95 PRKCI (0.44) PRKCITLR8KDM4ENPSR1L3MBTL1
SCHEMBL7677137 0.95 PRKCI (0.44) PRKCITLR8KDM4ENPSR1L3MBTL1
SCHEMBL7677294 0.85 PRKCI (0.44) PRKCIKDM4ENPSR1ESR1KMT2A
SCHEMBL7680919 0.85 KDM4E (0.40) PRKCITLR8KDM4ENPSR1L3MBTL1
SCHEMBL17829979 0.83 TLR8 (0.52) PRKCITLR8TLR7
SCHEMBL2920664 0.80 PRKCI (0.48) PRKCIESR1HDAC1HDAC2KMT2A
SCHEMBL17829985 0.80 TLR8 (0.51) PRKCITLR8TLR7
SCHEMBL7677117 0.79 PRKCI (0.46) PRKCIKDM4ENPSR1ESR1HDAC1

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 2876/4885TLR8 2086/4885KDM4E 2446/4885

“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.