SCHEMBL15045562

SCHEMBL15045562

Cc1ccc2c(c1)ncc1cc(C)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 10)

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
▸ CYP19A1 P11511 2/20 0.39
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL15045596 0.83 LMNA (0.38) CHEK1PARP1PIM1RPS6KA3CYP19A1
SCHEMBL13561566 0.77 CHEK1 (0.42) CHEK1PARP1PIM1RPS6KA3
SCHEMBL15045464 0.75 CHEK1 (0.44) CHEK1PARP1PIM1RPS6KA3GAA
SCHEMBL10259398 0.74 NQO2 (0.47) CHEK1PARP1PIM1RPS6KA3L3MBTL1
SCHEMBL15045567 0.73 CYP1A2 (0.41) PARP1CYP19A1GAAHTTSMN1; SMN2
SCHEMBL13561660 0.73 CYP1A2 (0.46) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13561542 0.72 CYP1A2 (0.40) CHEK1PARP1PIM1RPS6KA3HTT
SCHEMBL15045557 0.71 CYP2A6 (0.45) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13915654 0.70 KDM4E (0.62) CHEK1PARP1PIM1RPS6KA3HTT
SCHEMBL15045669 0.70 CHEK1 (0.42) 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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