SCHEMBL19642328

SCHEMBL19642328

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.65
▸ PTPN1 P18031 2/20 0.65
▸ GSK3B P49841 2/20 0.65
▸ HSD11B1 P28845 1/20 0.55
▸ CES2 O00748 2/20 0.53
▸ CES1 P23141 2/20 0.53
▸ SRD5A2 P31213 2/20 0.52
▸ MMP1 P03956 1/20 0.51
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL11780105 0.86 PDPK1 (0.61) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL11167372 0.84 PDPK1 (0.60) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL7800743 0.84 PDPK1 (0.60) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL19660005 0.82 PTPN1 (0.56) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL18860300 0.81 PTPN1 (0.59) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL658661 0.79 PDPK1 (1.00) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL203931 0.79 GSK3B (1.00) PTPN1GSK3BHSD11B1CES2CES1
SCHEMBL5186546 0.78 PDPK1 (0.54) PDPK1PTPN1GSK3BHSD11B1CES2
SCHEMBL7315058 0.78 PDPK1 (0.60) PDPK1PTPN1GSK3BHSD11B1TSHR
SCHEMBL29987081 0.78 PTPN1 (0.75) PDPK1PTPN1GSK3BHSD11B1CES2

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 12 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
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
EP-3464248-B1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma AG (DE) 2021-09-08 — — EP disclosed
US-11040035-B2 3-oxo-2,6-diphenyl-2,3-dihydropyridazine-4-carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-22 — — US 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
EP-3713922-A1 SULPHUR SUBSTITUTED 3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Aktiengesellschaft (DE) 2020-09-30 — — EP disclosed
US-20200299269-A1 SULPHUR SUBSTITUTED 3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-09-24 — — US disclosed
US-20200237757-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-30 — — US disclosed
WO-2019101642-A1 SULPHUR SUBSTITUTED 3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-05-31 — — WO 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 (5 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-11040035-B2 3-oxo-2,6-diphenyl-2,3-dihydropyridazine-4-carboxamides AHR, HRH2, HRH4 PDPK1 1443/4885PTPN1 2253/4885GSK3B 2955/4885
US-11795164-B2 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamides for the treatment of cancer AHR, ARNT, HRH2 PDPK1 1505/4885PTPN1 2002/4885GSK3B 2339/4885
US-20230121195-A1 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER AHR, ARNT, HRH2 PDPK1 1505/4885PTPN1 2002/4885GSK3B 2339/4885
US-20200299269-A1 SULPHUR SUBSTITUTED 3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES AHR, HRH2, ARNT PDPK1 2609/4885PTPN1 1219/4885GSK3B 2948/4885
US-20200237757-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES AHR, HRH2, HRH4 PDPK1 1443/4885PTPN1 2253/4885GSK3B 2955/4885

“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