SCHEMBL178451

SCHEMBL178451

Cc1ccc(C(=O)NC2CC2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MAPK14 Q16539 8/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
AR P10275 2/20 0.54
MCHR1 Q99705 4/20 0.53
MAPK11 Q15759 4/20 0.52
CYP2C9 P11712 2/20 0.52
HSPB1 P04792 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL24746236 0.92 NPC1 (0.63) HDAC1HDAC6MAPK14TAS1R3TAS1R1
SCHEMBL13790808 0.87 TAS1R3 (0.60) MAPK14TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL531986 0.85 MCHR1 (0.64) MAPK14TAS1R3TAS1R1TAS1R2AR
SCHEMBL10282601 0.85 GLA (0.64) MAPK14MAPK11CYP2C9HSPB1NPC1
SCHEMBL245150 0.82 MAPK11 (0.64) MAPK14MAPK11
SCHEMBL25548 0.82 MAPK14 (0.58) MAPK14MAPK11CYP2C9HSPB1NPC1
SCHEMBL2948427 0.82 MAPK14 (0.58) MAPK14MAPK11CYP2C9HSPB1NPC1
SCHEMBL244356 0.81 MAPK11 (0.63) MAPK14MAPK11
SCHEMBL23073633 0.81 RAB9A (0.56) MAPK14TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL10093289 0.81 HDAC1 (0.63) HDAC1HDAC6MAPK14TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498775-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES Almirall S.A. (ES) 2012-09-19 EP claimed
EP-2498775-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES Almirall S.A. (ES) 2012-09-19 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
CN-101842361-A Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2010-09-22 CN disclosed
EP-2144881-A1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA AstraZeneca AB (SE) 2010-01-20 EP disclosed
EP-2118100-A1 NEW 3- ([1,2,4] TRIAZOLO [4,3-A] PYRIDIN-7-YL)BENZAMIDE DERIVATIVES Almirall, S.A. (ES) 2009-11-18 EP disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 WO disclosed
WO-2008107125-A1 NEW 3-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2008-09-12 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HDAC1 775/4885HDAC6 1661/4885MAPK14 1421/4885

“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.