SCHEMBL13395632

SCHEMBL13395632

O=C1Cc2ncccc2-c2c1[nH]c1cc(F)c3ccoc3c21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.34
▸ CDK5R1 Q15078 5/20 0.34
▸ CCNB2 O95067 4/20 0.34
▸ CDK1 P06493 4/20 0.34
▸ CCNB1 P14635 4/20 0.34
▸ CCNB3 Q8WWL7 4/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ AURKA O14965 3/20 0.33
▸ SLC40A1 Q9NP59 2/20 0.33
▸ GSK3A P49840 2/20 0.31

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
SCHEMBL12388707 0.69 AURKA (0.35) CDK5CDK5R1GSK3BAURKAGSK3A
SCHEMBL12388706 0.66 CYP2C8 (0.33) AURKA
SCHEMBL12388704 0.62 ALDH1A1 (0.37) —
SCHEMBL30577511 0.58 AURKA (0.45) AURKA
SCHEMBL14452879 0.58 HTR2C (0.33) —
SCHEMBL12436479 0.57 CYP2A6 (0.37) —
SCHEMBL9963984 0.57 PTPRC (0.46) —
SCHEMBL2484666 0.56 AURKA (0.60) AURKA
SCHEMBL13600283 0.56 KDM4E (0.41) —
SCHEMBL30273079 0.56 DAO (0.43) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — 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 (1 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L CDK5 300/4885CDK5R1 538/4885CCNB2 3507/4885

“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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