SCHEMBL16769348

SCHEMBL16769348

Cc1c(C(F)(F)C(F)(F)F)nn(-c2ccccc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 1/20 0.37
BRAF P15056 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
FCGR1A P12314 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT1 P42224 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19230173 0.85 PTGS1 (0.38) ATMSMN1; SMN2CYP1A2CYP2C19PTGS1
SCHEMBL16769783 0.82 PTGS1 (0.40) SMN1; SMN2CYP1A2CYP2C19PTGS1BRAF
SCHEMBL17295614 0.78 PTGS1 (0.34) ATMSMN1; SMN2PTGS1MAPTALDH1A1
SCHEMBL17295611 0.77 PTGS1 (0.33) PTGS1
SCHEMBL17295617 0.77 PTGS1 (0.33) PTGS1BRAFMAPT
SCHEMBL19077922 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2MAPK1CYP2C19NPC1
SCHEMBL16769347 0.75 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2MAPK1CYP2C19PTGS1
SCHEMBL29247996 0.74 POLB (0.44) SMN1; SMN2PTGS1BRAFNPC1RAB9A
SCHEMBL19087096 0.72 PTGS1 (0.42) SMN1; SMN2CYP1A2CYP2C19PTGS1BRAF
SCHEMBL19087157 0.71 CYP1A2 (0.47) SMN1; SMN2CYP1A2MAPK1CYP2C19PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148984-B1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES STARTING FROM HEXAFLUOROPROPENE BAYER ANIMAL HEALTH GMBH (DE) 2019-07-24 EP disclosed
EP-3183237-B1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES STARTING FROM HEXAFLUOROPROPENE BAYER ANIMAL HEALTH GMBH (DE) 2019-07-24 EP disclosed
US-9845312-B2 Process for the preparation of 5-fluoro-1H-pyrazoles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-19 US disclosed
US-9725415-B2 Process for the preparation of 5-fluoro-1H-pyrazoles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-08 US disclosed
US-20160289213-A1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-06 US disclosed
US-20160289194-A1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-06 US disclosed
US-9302994-B2 Process for the preparation of 5-fluoro-1H-pyrazoles BAYER CROPSCIENCE AG (DE) 2016-04-05 US disclosed
US-20150152062-A1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES ELANCO ANIMAL HEALTH GMBH (DE) 2015-06-04 US 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 (3 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-20150152062-A1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES CYP4F3, CYP2F1, CBR3 ATM 3081/4885SMN1; SMN2 4640/4885CYP1A2 408/4885
US-20160289194-A1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES CYP2F1, CYP4F11, CYP3A5 ATM 3089/4885SMN1; SMN2 4514/4885CYP1A2 18/4885
US-20160289213-A1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES CYP2F1, CYP4F11, CYP4F2 ATM 3050/4885SMN1; SMN2 4453/4885CYP1A2 17/4885

“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.