SCHEMBL1531228

SCHEMBL1531228

CCNC(=O)n1nc(Oc2ccc(N)c(C(F)(F)F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.40
HDAC1 Q13547 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
FFAR4 Q5NUL3 4/20 0.36
ASAH1 Q13510 1/20 0.36
RAF1 P04049 2/20 0.35
AR P10275 2/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK8 P45983 2/20 0.34
MAPK10 P53779 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
PLA2G7 Q13093 2/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL1531161 0.88 RAF1 (0.46) BRAFHDAC1RAF1GAAALDH1A1
SCHEMBL13326045 0.79 ASAH1 (0.39) BRAFNPSR1ASAH1KDM4EALDH1A1
SCHEMBL1531186 0.77 AR (0.40) ASAH1ARALDH1A1TSHRHTT
SCHEMBL1531398 0.77 MRGPRX4 (0.40) GAAMAPTTSHRHTT
SCHEMBL17835462 0.76 LMNA (0.35) BRAFHDAC1NPSR1ASAH1RAF1
SCHEMBL1531175 0.76 HSP90AA1 (0.43) NPSR1ALDH1A1MAPTHTT
SCHEMBL13406386 0.76 GAA (0.39) NPSR1RAF1GAAKDM4EALDH1A1
SCHEMBL13326413 0.76 GAA (0.38) NPSR1GAAKDM4EALDH1A1MAPT
SCHEMBL13325962 0.75 GAA (0.36) NPSR1GAAKDM4EALDH1A1MAPT
SCHEMBL1531235 0.75 SSTR4 (0.41) NPSR1ARKDM4E

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-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 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 (2 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 BRAF 1074/4885HDAC1 591/4885NPSR1 3941/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 BRAF 1074/4885HDAC1 591/4885NPSR1 3941/4885

“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.