SCHEMBL7688057

SCHEMBL7688057

C=CCNc1nc(N)c2scc(C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PRKCI P41743 4/20 0.36
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32

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 0.86 PRKCI (0.42) GAAPRKCIKMT2AMAPTSMN1; SMN2
SCHEMBL7681398 0.82 PRKCI (0.40) GAAPRKCIKMT2AMAPTSMN1; SMN2
SCHEMBL7685186 0.80 PRKCI (0.40) GAAPRKCI
SCHEMBL7679407 0.80 PRKCI (0.36) GAAPRKCIKMT2AMAPTSMN1; SMN2
SCHEMBL7679226 0.80 PRKCI (0.36) GAAPRKCIKMT2AMAPTSMN1; SMN2
SCHEMBL7687758 0.79 PRKCI (0.38) GAAPRKCIKMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7685355 0.79 GAA (0.35) GAAPRKCIKMT2AMAPTSMN1; SMN2
SCHEMBL7687988 0.79 PRKCI (0.38) GAAPRKCICDK2KMT2AMAPT
SCHEMBL7682019 0.79 PRKCI (0.38) GAAPRKCICCNA2CDK2KMT2A
SCHEMBL7688013 0.78 SLC29A1 (0.43) GAAPRKCIKMT2AMAPTCYP1A2

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 GAA 4180/4885PRKCI 2876/4885CCNA2 498/4885

“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.