SCHEMBL13395672

SCHEMBL13395672

CC1(C)COc2c1ccc1[nH]c3c(=O)oc4ncccc4c3c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PARP1 P09874 2/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ PBRM1 Q86U86 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 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
SCHEMBL13395649 0.84 CDK5 (0.40) SMN1; SMN2KDM4EALDH1A1MEN1LMNA
SCHEMBL12388717 0.72 PARP1 (0.40) CDK4CCND1KDM4EALDH1A1PARP1
SCHEMBL12622957 0.71 CDK4 (0.39) CDK4CCND1KDM4EALDH1A1MEN1
SCHEMBL12665725 0.69 CDK5 (0.41) CDK4CCND1SMN1; SMN2KDM4EALDH1A1
SCHEMBL829831 0.69 CDK5 (0.37) CDK4CCND1KDM4EALDH1A1PARP1
SCHEMBL13395647 0.66 BRD4 (0.30) —
SCHEMBL832080 0.65 CDK5 (0.35) CDK4CCND1KDM4EALDH1A1PBRM1
SCHEMBL12388707 0.65 AURKA (0.35) CDK4CCND1KDM4EALDH1A1GSK3A
SCHEMBL16582681 0.63 CCR1 (0.41) SMN1; SMN2KDM4EALDH1A1MEN1LMNA
SCHEMBL13413392 0.63 BTK (0.35) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064180-B1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2016-07-13 — — EP 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-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
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 — — 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 (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 CDK4 368/4885CCND1 1714/4885SMN1; SMN2 4714/4885

“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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