SCHEMBL7679077

SCHEMBL7679077

C=CCN(CC=C)c1ncnc2ccc(N)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.51
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
ERBB2 P04626 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MTOR P42345 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAP4K4 O95819 2/20 0.36
PARP1 P09874 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL7687774 0.82 CSF1R (0.51) EGFRALDH1A1HTTLMNAKDM4E
SCHEMBL9287762 0.78 RAB9A (0.50) EGFRALDH1A1HTTERBB2LMNA
Hydrochloric Acid SCHEMBL7687742 0.78 ALDH1A1 (0.44) EGFRALDH1A1HTTERBB2LMNA
SCHEMBL7681292 0.77 KDR (0.49) EGFRALDH1A1HTTNCOA1NCOA3
SCHEMBL2998447 0.74 EGFR (0.68) EGFRALDH1A1HTTERBB2LMNA
SCHEMBL20936483 0.70 EGFR (0.41) EGFRALDH1A1HTTERBB2LMNA
SCHEMBL4692556 0.68 MAP4K4 (0.66) EGFRMAP4K4
SCHEMBL29713890 0.68 MAP4K4 (0.66) EGFRMAP4K4
SCHEMBL3112161 0.68 EGFR (1.00) EGFR
Hydrochloric Acid SCHEMBL10969363 0.67 MAP4K4 (0.64) EGFRMAP4K4

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 EGFR 4566/4885ALDH1A1 1631/4885HTT 4733/4885

“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.