SCHEMBL21200976

SCHEMBL21200976

COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2cc1C(=O)NN

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.68
PDGFRA P16234 8/20 0.68
MET P08581 3/20 0.55
AURKA O14965 2/20 0.51
TEK Q02763 2/20 0.51
AURKB Q96GD4 2/20 0.51
AXL P30530 2/20 0.51
RET P07949 4/20 0.50

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
SCHEMBL30616308 1.00 KDR (0.68) KDRPDGFRAMETAURKATEK
SCHEMBL1894947 0.91 KDR (0.69) KDRPDGFRAMETAURKATEK
SCHEMBL1895689 0.89 KDR (0.71) KDRPDGFRAMETAURKATEK
SCHEMBL21200800 0.88 KDR (0.70) KDRPDGFRAMETAURKATEK
SCHEMBL30616304 0.88 KDR (0.70) KDRPDGFRAMETAURKATEK
SCHEMBL1889796 0.85 KDR (0.66) KDRPDGFRAMETAURKATEK
SCHEMBL29258988 0.84 KDR (0.63) KDRPDGFRAMETAURKATEK
SCHEMBL558651 0.84 PDGFRA (0.80) KDRPDGFRAMET
SCHEMBL7481946 0.81 PDGFRA (0.76) KDRPDGFRAMET
SCHEMBL7489788 0.81 PDGFRA (1.00) KDRPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4647127-A2 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2025-11-12 EP disclosed
EP-3743070-B1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS INC (US) 2025-07-23 EP disclosed
CN-117820226-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-04-05 CN disclosed
CN-117624045-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-03-01 CN disclosed
CN-117603138-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-02-27 CN disclosed
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-02-08 US disclosed
CN-117402114-A Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-01-16 CN disclosed
CN-111757735-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2023-09-22 CN disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
EP-3743070-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2020-12-02 EP disclosed
CN-111757735-A Compounds for the treatment of kinase-dependent disorders 埃克塞里艾克西斯公司 2020-10-09 CN disclosed
WO-2019148044-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2019-08-01 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 (3 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-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 KDR 237/4885PDGFRA 564/4885MET 154/4885
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 KDR 237/4885PDGFRA 564/4885MET 154/4885
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 KDR 237/4885PDGFRA 564/4885MET 154/4885

“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.