SCHEMBL7682858

SCHEMBL7682858

C=CCNc1nc(Cl)nc2c(CCC)csc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
CDK1 P06493 1/20 0.30
PDE7A Q13946 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
SCHEMBL7685581 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL7683912 0.87 MEN1 (0.36) ALDH1A1L3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL7681982 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL7679038 0.81 YTHDC1 (0.36) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL7684270 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL7683099 0.80 MEN1 (0.33) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7681062 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL7685359 0.78 KMT2A (0.35) KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL7681453 0.77 MEN1 (0.32) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7683161 0.76 MEN1 (0.37) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19

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 ALDH1A1 1631/4885L3MBTL1 3056/4885KMT2A 948/4885

“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.