SCHEMBL21879554

SCHEMBL21879554

O=C(O)c1cccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.70
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
PTGS2 P35354 5/20 0.58
KLKB1 P03952 1/20 0.57
THRB P10828 1/20 0.56
PDPK1 O15530 1/20 0.55
ALOX5 P09917 1/20 0.53
POLB P06746 1/20 0.52
NR3C2 P08235 1/20 0.52
RPA1 P27694 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
SCHEMBL21935300 0.88 PTGS2 (0.60) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL14747805 0.87 PTGS2 (0.74) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL4247328 0.87 PTGS2 (0.74) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL21935294 0.85 KLKB1 (0.53) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL21879588 0.84 KLKB1 (0.62) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL31420334 0.84 KLKB1 (0.62) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL6451398 0.83 PTGS1 (1.00) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL21879532 0.82 KLKB1 (0.52) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL20502210 0.82 KDM4E (0.56) PTGS1MAPTSMN1; SMN2TP53PTGS2
SCHEMBL21935232 0.82 PTGS2 (0.61) PTGS1MAPTSMN1; SMN2TP53PTGS2

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
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US disclosed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 US disclosed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 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 (4 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 PTGS1 2381/4885MAPT 4663/4885SMN1; SMN2 4800/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 PTGS1 2381/4885MAPT 4663/4885SMN1; SMN2 4800/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 PTGS1 2397/4885MAPT 4662/4885SMN1; SMN2 4793/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 PTGS1 2397/4885MAPT 4662/4885SMN1; SMN2 4793/4885

“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.