SCHEMBL7682948

SCHEMBL7682948

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.32
CRHR1 P34998 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRKCI P41743 3/20 0.32
TSHR P16473 1/20 0.32
CREBBP Q92793 1/20 0.32
CYP2C9 P11712 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
SCHEMBL7677174 0.92 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7681062 0.87 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7687480 0.82 PRKCI (0.42) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7687992 0.80 PRKCI (0.41) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7678942 0.80 KMT2A (0.39) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7683161 0.80 MEN1 (0.37) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7683912 0.77 MEN1 (0.36) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7685186 0.76 PRKCI (0.40) GAACRHR1PRKCI
SCHEMBL7681398 0.76 PRKCI (0.40) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL7682019 0.75 PRKCI (0.38) CYP1A2CYP3A4CYP2C19MEN1CYP2D6

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 CYP1A2 1299/4885CYP3A4 1801/4885CYP2C19 1692/4885

“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.