SCHEMBL7687774

SCHEMBL7687774

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.51
HTT P42858 6/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CLK4 Q9HAZ1 1/20 0.40
EGFR P00533 2/20 0.40
CNR1 P21554 1/20 0.38
PIK3CD O00329 3/20 0.38
PIK3R1 P27986 3/20 0.38
NR2F2 P24468 1/20 0.38
TP53 P04637 1/20 0.38
MAP4K4 O95819 1/20 0.37
NR4A2 P43354 1/20 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

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
SCHEMBL7679077 0.82 EGFR (0.51) HTTALDH1A1CYP1A2CYP2D6CLK4
SCHEMBL30169049 0.80 HTT (0.68) CSF1RHTTALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8374732 0.79 HTT (0.66) CSF1RHTTALDH1A1CYP1A2CYP2D6
SCHEMBL9287762 0.78 RAB9A (0.50) HTTALDH1A1CLK4EGFRNR2F2
Hydrochloric Acid SCHEMBL7687742 0.78 ALDH1A1 (0.44) HTTALDH1A1CYP1A2CYP2D6CLK4
SCHEMBL28595267 0.71 CYP1A2 (0.43) CSF1RHTTALDH1A1CYP1A2CYP2D6
SCHEMBL856909 0.68 PDE4A (0.57) CSF1RHTTALDH1A1CYP1A2CYP2D6
SCHEMBL29793572 0.68 PDE4A (0.57) CSF1RHTTALDH1A1CYP1A2CYP2D6
SCHEMBL3123760 0.68 CSF1R (1.00) CSF1RHTTEGFRPIK3CDPIK3R1
Hydrochloric Acid SCHEMBL8375181 0.67 HTT (0.54) CSF1RHTTALDH1A1CYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11124371-A None JP disclosed
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
JP-H11124371-A NEW PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND MEDICINE CONTAINING THE SAME AND USED FOR IMPROVING PARTIAL OXYGEN PRESSURE IN BLOOD AND ITS PRODUCTION FUJIREBIO INC 1999-05-11 JP 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 CSF1R 3537/4885HTT 4733/4885ALDH1A1 1631/4885

“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.