SCHEMBL19642604

SCHEMBL19642604

O=C(CC(C(=O)O)C(=O)O)c1ccc(C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ PDPK1 O15530 4/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ USP5 P45974 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL19660150 0.81 L3MBTL1 (0.50) POLBKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL17873488 0.80 PTPN1 (0.61) USP5PTPN1
SCHEMBL29149876 0.78 USP5 (0.40) POLBUSP5PTPN1
SCHEMBL5313340 0.77 TSHR (0.72) TSHRPOLBKMT2APDPK1L3MBTL1
SCHEMBL15001700 0.77 KMT2A (0.65) TSHRKMT2ACYP2C9CYP2C19L3MBTL1
SCHEMBL19642965 0.77 TSHR (0.46) TSHRPOLBKMT2APDPK1CYP2C9
SCHEMBL19642631 0.77 ATM (0.54) TSHRKMT2AALDH1A1MAPTMEN1
SCHEMBL19642670 0.76 ALDH1A1 (0.62) TSHRPOLBKMT2AALDH1A1LMNA
SCHEMBL5066173 0.76 GSK3B (0.63) TSHRKMT2AMEN1
SCHEMBL928345 0.76 PDPK1 (0.62) TSHRPOLBKMT2APDPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795164-B2 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamides for the treatment of cancer BAYER AKTIENGESELLSCHAFT (DE) 2023-10-24 — — US disclosed
CN-116554152-A 2-heteroaryl-3-oxo-2, 3-dihydropyridazine-4-carboxamides for the treatment of cancer 拜耳股份公司 2023-08-08 — — CN disclosed
CN-116531380-A 2-heteroaryl-3-oxo-2, 3-dihydropyridazine-4-carboxamides for the treatment of cancer 拜耳股份公司 2023-08-04 — — CN disclosed
US-20230121195-A1 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 — — US disclosed
CN-110678459-B 2-heteroaryl-3-oxo-2, 3-dihydropyridazine-4-carboxamides for the treatment of cancer 拜耳股份公司 2023-04-04 — — CN disclosed
EP-3464248-B1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma AG (DE) 2021-09-08 — — EP disclosed
EP-3580211-B1 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER BAYER AG (DE) 2020-12-02 — — EP disclosed
CN-110678459-A 2-heteroaryl-3-oxo-2, 3-dihydropyridazine-4-carboxamides for the treatment of cancer 拜耳股份公司 2020-01-10 — — CN disclosed
EP-3464248-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma Aktiengesellschaft (DE) 2019-04-10 — — EP disclosed
WO-2018146010-A1 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2018-08-16 — — WO disclosed
WO-2017202816-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 — — 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-11795164-B2 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamides for the treatment of cancer AHR, ARNT, HRH2 TSHR 1509/4885POLB 4075/4885KMT2A 300/4885
US-20230121195-A1 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER AHR, ARNT, HRH2 TSHR 1509/4885POLB 4075/4885KMT2A 300/4885

“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.

Send feedback