SCHEMBL12388717

SCHEMBL12388717

O=c1oc2ncccc2c2c1[nH]c1cc(F)c3c(c12)OCC3

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ CDK5 Q00535 9/20 0.33
▸ CDK5R1 Q15078 8/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ GSK3A P49840 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ EED O75530 3/20 0.31
▸ TOP1 P11387 1/20 0.30

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
SCHEMBL829831 0.77 CDK5 (0.37) PARP1CDK5CDK5R1DYRK1AGSK3A
SCHEMBL12388707 0.77 AURKA (0.35) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL832080 0.73 CDK5 (0.35) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL12623890 0.72 — —
SCHEMBL13395672 0.72 CDK4 (0.36) PARP1GSK3AGSK3BCDK4CCND1
SCHEMBL12623747 0.68 NOS2 (0.31) —
SCHEMBL12624146 0.68 — —
SCHEMBL12623755 0.67 TNIK (0.32) —
SCHEMBL12665725 0.66 CDK5 (0.41) PARP1CDK5CDK5R1DYRK1AGSK3A
SCHEMBL12622957 0.66 CDK4 (0.39) PARP1CDK5CDK5R1DYRK1AGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PARP1 963/4885CDK5 672/4885CDK5R1 2045/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PARP1 800/4885CDK5 238/4885CDK5R1 1019/4885

“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.

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