SCHEMBL7680936

SCHEMBL7680936

CCCCCCCCCCCCNc1nc(Cl)nc2c(C)csc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.44
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CRHR1 P34998 2/20 0.36
TLR8 Q9NR97 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
CTSL P07711 1/20 0.35
ESR1 P03372 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL7677206 1.00 PRKCI (0.44) PRKCIKMT2AHDAC1HDAC2CRHR1
SCHEMBL7677137 1.00 PRKCI (0.44) PRKCIKMT2AHDAC1HDAC2CRHR1
SCHEMBL7687751 0.99 PRKCI (0.45) PRKCIKMT2AHDAC1HDAC2CRHR1
SCHEMBL7683034 0.95 PRKCI (0.46) PRKCIKMT2AHDAC1HDAC2TLR8
SCHEMBL7677294 0.83 PRKCI (0.44) PRKCIKMT2ANPSR1KDM4ENPC1
SCHEMBL17829985 0.83 TLR8 (0.51) PRKCITLR8
SCHEMBL7680919 0.80 KDM4E (0.40) PRKCIKMT2AHDAC1HDAC2TLR8
SCHEMBL22448322 0.80 PRKCI (0.43) PRKCIKMT2ATLR8KDM4ENPC1
SCHEMBL7685780 0.79 PRKCI (0.41) PRKCIKMT2AKDM4ENPC1ALDH1A1
SCHEMBL7685868 0.79 PRKCI (0.41) PRKCIKMT2AKDM4ENPC1ALDH1A1

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 2876/4885KMT2A 948/4885HDAC1 1429/4885

“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.