SCHEMBL19795019

SCHEMBL19795019

O=Cc1cn(-c2cnc(C(F)(F)F)nc2)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
TRPA1 O75762 4/20 0.36
FGFR1 P11362 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DGAT1 O75907 2/20 0.31
MEN1 O00255 2/20 0.30
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL19795386 0.82 TRPA1 (0.42) PTGS2TRPA1POLB
SCHEMBL19795013 0.80 TRPA1 (0.40) PTGS2TRPA1POLBKMT2AALDH1A1
SCHEMBL14304515 0.79 PTGS2 (0.58) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL12424374 0.78 POLB (0.54) PTGS2TRPA1POLBKMT2AALDH1A1
SCHEMBL26136150 0.77 PTGS2 (0.42) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL1002604 0.77 PTGS2 (0.42) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL19807684 0.75 TRPA1 (0.45) TRPA1FGFR1DGAT1
SCHEMBL18017677 0.75 TRPA1 (0.46) TRPA1FGFR1DGAT1
SCHEMBL21010418 0.72 TRPA1 (0.43) TRPA1FGFR1DGAT1
SCHEMBL20997476 0.72 TRPA1 (0.45) TRPA1FGFR1KMT2AALDH1A1DGAT1

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
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
WO-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 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-20190144428-A1 BICYCLIC PROLINE COMPOUNDS TRPA1, TRPV1, TRPV5 PTGS2 132/4885TRPA1 1/4885FGFR1 2015/4885

“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.