SCHEMBL14060339

SCHEMBL14060339

COc1ncc(C(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CASP1 P29466 1/20 0.49
AURKA O14965 1/20 0.47
TTK P33981 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
PIK3CA P42336 8/20 0.40
MTOR P42345 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3R1 P27986 2/20 0.31
CRHR1 P34998 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL83967 0.83 MAPT (0.50) MAPTCASP1AURKATTKAURKB
SCHEMBL24139835 0.80 MAPT (0.51) MAPTCASP1AURKATTKAURKB
SCHEMBL12094605 0.79 CRHR1 (0.34) MAPTCASP1AURKATTKAURKB
SCHEMBL12093567 0.78 LMNA (0.38) MAPTCASP1PIK3CACYP1A2CYP3A4
SCHEMBL112761 0.75 MAPT (0.53) MAPTCASP1AURKATTKAURKB
SCHEMBL14060011 0.75 MAPT (0.53) MAPTCASP1AURKATTKAURKB
SCHEMBL29540711 0.74 MAPT (0.56) MAPTCASP1AURKATTKAURKB
SCHEMBL8986074 0.74 MAPT (0.56) MAPTCASP1AURKATTKAURKB
SCHEMBL11775197 0.74 HTT (0.37)
Hydrochloric Acid SCHEMBL23501360 0.73 MAPT (0.51) MAPTCASP1AURKATTKAURKB

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-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2014-06-19 US disclosed
CN-103649085-A Pyridin-2(1h)-one derivatives useful as medicaments for the treatment of myeloproliferative disorders, transplant rejection, immune-mediated and inflammatory diseases ALMIRALL SA 2014-03-19 CN disclosed
WO-2012160030-A1 PYRIDIN-2 (1H) -ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2012-11-29 WO 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-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES JAK1, JAK3, JAK2 MAPT 3564/4885CASP1 754/4885AURKA 1362/4885

“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.