SCHEMBL7681448

SCHEMBL7681448

C=CCNc1nc(NCc2ccccc2)c2scc(C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
UBE2N P61088 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RCE1 Q9Y256 1/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
APP P05067 2/20 0.41
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
ADORA2A P29274 2/20 0.40

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) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL7687380 0.83 PRKCI (0.36) KDM4EMAPTALDH1A1KMT2ANPC1
SCHEMBL7687375 0.83 PRKCI (0.36) KDM4EMAPTALDH1A1KMT2ANPC1
SCHEMBL7681398 0.83 PRKCI (0.40) MAPTALDH1A1LMNAKMT2APDE4B
SCHEMBL7687758 0.80 PRKCI (0.38) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL7682019 0.80 PRKCI (0.38) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL7687988 0.80 PRKCI (0.38) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL7678980 0.79 PDE5A (0.51) MAPTAPPPDE4APDE4BPDE4C
SCHEMBL7687457 0.79 PRKCI (0.37) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL7688013 0.79 SLC29A1 (0.43) KDM4EMAPTKMT2AGAAPRKCI

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 RAD52 1821/4885KDM4E 2446/4885MAPT 3972/4885

“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.