SCHEMBL7682032

SCHEMBL7682032

C=C(C)CNc1nc(Cl)nc2c(C)csc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.40
ESR1 P03372 1/20 0.38
GRM1 Q13255 8/20 0.33
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 2/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
INSR P06213 1/20 0.30
AXL P30530 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR2 Q9HBW0 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 0.81 PRKCI (0.44) PRKCIESR1KDM4ENPSR1INSR
SCHEMBL7677227 0.80 CDK1 (0.49) PRKCIESR1KDM4ENPSR1RXFP1
SCHEMBL7687457 0.80 PRKCI (0.37) PRKCIKDM4EJAK2JAK3
SCHEMBL7681982 0.80 ALDH1A1 (0.43) PRKCIESR1KDM4E
SCHEMBL7679000 0.78 PRKCI (0.41) PRKCIESR1KDM4ENPSR1RXFP1
SCHEMBL7681203 0.78 PRKCI (0.41) PRKCIESR1GRM1KDM4ENPSR1
SCHEMBL7683034 0.77 PRKCI (0.46) PRKCIESR1KDM4ENPSR1RXFP1
SCHEMBL19933189 0.76 YTHDC1 (0.44) PRKCIESR1KDM4ENPSR1RXFP1
SCHEMBL7687751 0.76 PRKCI (0.45) PRKCIESR1KDM4ENPSR1
SCHEMBL7677117 0.75 PRKCI (0.46) PRKCIESR1KDM4ENPSR1RXFP1

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 2876/4885ESR1 4268/4885GRM1 530/4885

“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.