SCHEMBL7679000

SCHEMBL7679000

Cc1csc2c(NCC(C)(C)C)nc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 9/20 0.41
NUDT1 P36639 2/20 0.39
ESR1 P03372 2/20 0.36
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
INSR P06213 1/20 0.31
AXL P30530 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
MAPT P10636 2/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL7677294 0.84 PRKCI (0.44) PRKCIESR1INSRAXLLPAR1
SCHEMBL7678955 0.81 LMNA (0.38) PRKCIESR1TNKSPARP1TNKS2
SCHEMBL7681203 0.80 PRKCI (0.41) PRKCIESR1INSRAXLLPAR1
SCHEMBL7683034 0.79 PRKCI (0.46) PRKCIESR1NPSR1KMT2ARXFP1
SCHEMBL7681982 0.79 ALDH1A1 (0.43) PRKCIESR1MAPTKMT2AKDM4E
SCHEMBL19933189 0.79 YTHDC1 (0.44) PRKCIESR1INSRAXLLPAR1
SCHEMBL7685322 0.78 PRKCI (0.34) PRKCIESR1TNKSPARP1TNKS2
SCHEMBL7682032 0.78 PRKCI (0.40) PRKCIESR1INSRAXLLPAR1
SCHEMBL7687751 0.78 PRKCI (0.45) PRKCIESR1NPSR1MAPTKMT2A
SCHEMBL7687758 0.78 PRKCI (0.38) PRKCINUDT1INSRMAPTKMT2A

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 2876/4885NUDT1 25/4885ESR1 4268/4885

“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.