SCHEMBL19150075

SCHEMBL19150075

FC(F)c1cc(C(F)F)c2cccc(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 5/20 0.44
▸ CRHR1 P34998 1/20 0.40
▸ PLAUR Q03405 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL19148561 0.78 ADORA2A (0.39) TDP1L3MBTL1ADORA2AADORA1
SCHEMBL19150074 0.75 L3MBTL1 (0.35) TDP1L3MBTL1ADORA2AKDR
SCHEMBL19150087 0.73 KDM4E (0.43) —
SCHEMBL4873147 0.66 TRPA1 (0.46) TDP1L3MBTL1TRPA1
SCHEMBL31432929 0.66 TRPA1 (0.46) TDP1L3MBTL1TRPA1
SCHEMBL15133561 0.66 ENPP1 (0.63) ENPP1CRHR1PLAURTDP1L3MBTL1
SCHEMBL15133563 0.65 ENPP1 (0.60) ENPP1CRHR1PLAURTDP1L3MBTL1
SCHEMBL29029744 0.65 MYC (0.46) TDP1L3MBTL1ADORA2AADORA1
SCHEMBL13312449 0.65 ENPP1 (0.49) ENPP1CRHR1PLAURTDP1L3MBTL1
SCHEMBL19148204 0.65 MAOA (0.38) TDP1L3MBTL1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 — — US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 — — US disclosed
EP-3405458-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES Bayer CropScience Aktiengesellschaft (DE) 2018-11-28 — — EP disclosed
WO-2017125318-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 — — 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 (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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 ENPP1 3582/4885CRHR1 4799/4885PLAUR 4540/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 ENPP1 3582/4885CRHR1 4799/4885PLAUR 4540/4885

“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.

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