SCHEMBL29488239

SCHEMBL29488239

COc1cc2ncccc2cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.66
PDGFRA P16234 2/20 0.66
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 1/20 0.61
MCL1 Q07820 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
IRAK4 Q9NWZ3 4/20 0.48
IRAK1 P51617 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SYK P43405 2/20 0.46
AURKA O14965 1/20 0.46
MAP3K7 O43318 1/20 0.46
FLT3 P36888 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL30616268 0.94 PDGFRB (0.66) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL28314031 0.93 PDGFRB (0.57) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL28313242 0.89 PDGFRB (0.52) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL23640270 0.88 PDGFRB (0.66) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL29535684 0.87 PDGFRB (0.64) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL30448935 0.87 PDGFRB (0.64) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL23924017 0.87 PDGFRB (0.64) PDGFRBPDGFRAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL27894607 0.85 PDGFRB (0.62) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL29812587 0.84 PDGFRB (0.60) PDGFRBPDGFRAKDM4EALDH1A1HSD17B10
SCHEMBL69942 0.82 MCL1 (0.58) PDGFRBPDGFRAKDM4EALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-02-08 US claimed
CN-119841776-A Tyrosine kinase inhibitors and uses thereof 华上生技医药股份有限公司 2025-04-18 CN disclosed
EP-4452947-A1 CRYSTALLINE FORMS AND SALT FORMS OF A KINASE INHIBITOR Exelixis, Inc. (US) 2024-10-30 EP disclosed
CN-118647603-A Crystalline forms and salt forms of kinase inhibitors 埃克塞里艾克西斯公司 2024-09-13 CN disclosed
CN-113939503-B Crystalline salt forms of kinase inhibitors 埃克塞里艾克西斯公司 2024-05-07 CN 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
WO-2023122739-A1 CRYSTALLINE FORMS AND SALT FORMS OF A KINASE INHIBITOR EXELIXIS, INC. (US) 2023-06-29 WO disclosed
CN-115872906-A Levatinib impurity and preparation method thereof 山东铂源药业股份有限公司 2023-03-31 CN disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
EP-3976587-A1 CRYSTALLINE SALT FORMS OF A KINASE INHIBITOR Exelixis, Inc. (US) 2022-04-06 EP 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-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 PDGFRB 327/4885PDGFRA 564/4885KDM4E 2704/4885
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 PDGFRB 327/4885PDGFRA 564/4885KDM4E 2704/4885

“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.