SCHEMBL7682019

SCHEMBL7682019

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.38
CDK1 P06493 5/20 0.37
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PIK3CG P48736 1/20 0.34
CDK2 P24941 3/20 0.33
CCNA2 P20248 2/20 0.33
PRKACA P17612 1/20 0.33

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
SCHEMBL7687480 0.92 PRKCI (0.42) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7687457 0.86 PRKCI (0.37) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7681398 0.86 PRKCI (0.40) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7681312 0.84 PRKCI (0.41) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7687758 0.82 PRKCI (0.38) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7687988 0.82 PRKCI (0.38) PRKCICDK1GAACYP1A2MEN1
SCHEMBL7677227 0.82 CDK1 (0.49) PRKCICDK1CYP1A2KDM4ECDK2
SCHEMBL7688013 0.81 SLC29A1 (0.43) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7679407 0.81 PRKCI (0.36) PRKCIGAACYP1A2MEN1CYP3A4
SCHEMBL7679226 0.81 PRKCI (0.36) PRKCIGAACYP1A2MEN1CYP3A4

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 2876/4885CDK1 431/4885GAA 4180/4885

“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.