SCHEMBL10690353

SCHEMBL10690353

NNc1cncc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
KIF11 P52732 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.39
AR P10275 1/20 0.36
BACE2 Q9Y5Z0 2/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
BACE1 P56817 1/20 0.34
HDAC4 P56524 1/20 0.34
DAO P14920 1/20 0.33
P2RX1 P51575 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
SCHEMBL25905037 0.84 CYP3A4 (0.34) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL7665646 0.79 CYP3A4 (0.45) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL11900495 0.79 CYP3A4 (0.45) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
Hydrochloric Acid SCHEMBL28527606 0.78 CYP3A4 (0.44) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL3749196 0.77 CYP11B1 (0.43) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL23540359 0.76 KIF11 (0.51) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL30595619 0.76 KIF11 (0.51) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL30042197 0.76 KIF11 (0.51) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL998165 0.75 IDO1 (0.46) IDO1ALDH1A1P2RX1
SCHEMBL17700603 0.75 CYP3A4 (0.42) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119113123-A Method for treating or preventing diabetes mellitus by using combination drug 日本烟草产业株式会社 2024-12-13 CN disclosed
CN-114585387-B Method for treating or preventing diabetes mellitus by using combination drug 日本烟草产业株式会社 2024-10-29 CN disclosed
CN-114641314-B Method for treating or preventing chronic kidney disease 日本烟草产业株式会社 2024-05-28 CN disclosed
US-20240166632-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2024-05-23 US disclosed
EP-4342466-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE Japan Tobacco Inc. (JP) 2024-03-27 EP disclosed
CN-111902408-B Heteroaryl substituted pyrazole compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2023-11-14 CN disclosed
US-20230210831-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD JAPAN TOBACCO INC. (JP) 2023-07-06 US disclosed
US-20230210831-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD JAPAN TOBACCO INC. (JP) 2023-07-06 US disclosed
US-20230119894-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE JAPAN TOBACCO INC. (JP) 2023-04-20 US disclosed
US-20230119894-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE JAPAN TOBACCO INC. (JP) 2023-04-20 US disclosed
WO-2021045161-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD 日本たばこ産業株式会社 2021-03-11 WO disclosed
WO-2021045161-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD 日本たばこ産業株式会社 2021-03-11 WO disclosed
EP-3778593-A1 HETEROARYL-SUBSTITUTED PYRAZOLE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 2021-02-17 EP disclosed
EP-3778593-A1 HETEROARYL-SUBSTITUTED PYRAZOLE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 2021-02-17 EP disclosed
CN-111902408-A Heteroaryl-substituted pyrazole compounds and pharmaceutical use thereof 日本烟草产业株式会社 2020-11-06 CN disclosed
US-20190330193-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2019-10-31 US disclosed
US-20190330193-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2019-10-31 US disclosed
WO-2019194207-A1 HETEROARYL-SUBSTITUTED PYRAZOLE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 2019-10-10 WO disclosed
WO-2019194207-A1 HETEROARYL-SUBSTITUTED PYRAZOLE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 2019-10-10 WO disclosed
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 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 (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-20190330193-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SULT2A1 CYP3A4 138/4885CYP2C9 157/4885SLC22A6 128/4885
US-20240166632-A1 PYRAZOLE COMPOUNDS SUBSTITUTED WITH HETEROARYL AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SULT2A1 CYP3A4 138/4885CYP2C9 157/4885SLC22A6 128/4885
US-20230210831-A1 CHRONIC KIDNEY DISEASE TREATMENT OR PREVENTION METHOD SLC5A1, SLC5A2, REN CYP3A4 3621/4885CYP2C9 2248/4885SLC22A6 60/4885
US-20230119894-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE DPP4, SLC5A1, SLC5A2 CYP3A4 377/4885CYP2C9 1272/4885SLC22A6 142/4885

“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.