SCHEMBL30455948

SCHEMBL30455948

COC(=O)c1c(Cl)ncn1[C@H]1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
HTR3A P46098 5/20 0.36
CNR2 P34972 1/20 0.35
ABL1 P00519 3/20 0.34
EGFR P00533 1/20 0.34
OPRM1 P35372 3/20 0.34
P2RX7 Q99572 2/20 0.34
IL1B P01584 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34

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
SCHEMBL21879889 0.84 TGFBR1 (0.36) HTR3ACNR2ABL1P2RX7IL1B
SCHEMBL21879893 0.84 TGFBR1 (0.36) HTR3ACNR2ABL1P2RX7IL1B
SCHEMBL21879861 0.80 ALDH1A1 (0.34)
SCHEMBL31332852 0.74 ALDH1A1 (0.32) TGFBR1
SCHEMBL31332895 0.73 OPRK1 (0.33)
SCHEMBL30456227 0.72 PIK3CA (0.33) MAP3K5CDK4CCND1CCND3CDK6
SCHEMBL23930830 0.72 HCAR1 (0.49)
SCHEMBL23554637 0.72 EGFR (0.39) MAP3K5CDK4CCND1CCND3CDK6
SCHEMBL23530232 0.72 EGFR (0.39) MAP3K5HTR3ACNR2ABL1EGFR
SCHEMBL29549643 0.72 EGFR (0.39) MAP3K5HTR3ACNR2ABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065430-B2 Indazole compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-08-20 US disclosed
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-15 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 (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-12065430-B2 Indazole compound or salt thereof RCOR3, H1-3, BICRA MAP3K5 1296/4885CDK4 1980/4885CCND1 1697/4885
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C KRAS, NRAS, HRAS MAP3K5 483/4885CDK4 191/4885CCND1 138/4885

“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.