SCHEMBL15045669

SCHEMBL15045669

Cc1ccc2c(c1)ncc1c(C)n[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42

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
SCHEMBL15045637 0.77 CYP1A2 (0.37) PARP1
SCHEMBL15045667 0.74 CYP1A2 (0.41) —
SCHEMBL15045644 0.74 CYP1A2 (0.43) —
SCHEMBL13561566 0.70 CHEK1 (0.42) CHEK1PARP1PIM1RPS6KA3
SCHEMBL15045562 0.70 CHEK1 (0.42) CHEK1PARP1PIM1RPS6KA3
SCHEMBL15045636 0.70 CYP1A2 (0.39) —
SCHEMBL31552439 0.69 ITK (0.53) CHEK1
SCHEMBL12247 0.69 ITK (0.53) CHEK1
SCHEMBL862474 0.67 CCR1 (0.54) CHEK1PARP1PIM1RPS6KA3
SCHEMBL10259398 0.67 NQO2 (0.47) CHEK1PARP1PIM1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 — — 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 CHEK1 4365/4885PARP1 2530/4885PIM1 4428/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L CHEK1 3622/4885PARP1 1673/4885PIM1 3441/4885

“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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