SCHEMBL15045464

SCHEMBL15045464

Cc1ccc2c(c1)ncc1[nH]c(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ACHE P22303 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38

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
SCHEMBL15045562 0.75 CHEK1 (0.42) CHEK1PARP1PIM1RPS6KA3GAA
SCHEMBL15045470 0.72 ALDH1A1 (0.46) PARP1ALDH1A1MAPTKDM4EGAA
SCHEMBL10259398 0.72 NQO2 (0.47) CHEK1PARP1PIM1RPS6KA3ALDH1A1
SCHEMBL11627446 0.70 NOS1 (0.47) CHEK1PARP1PIM1RPS6KA3ALDH1A1
SCHEMBL13561583 0.69 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EGAARXFP1
SCHEMBL862474 0.68 CCR1 (0.54) CHEK1PARP1PIM1RPS6KA3ALDH1A1
SCHEMBL16892344 0.68 NQO2 (0.53) ALDH1A1MAPTKDM4EGAARXFP1
SCHEMBL2230568 0.68 ALDH1A1 (0.56) CHEK1PARP1PIM1RPS6KA3ALDH1A1
SCHEMBL13915654 0.68 KDM4E (0.62) CHEK1PARP1PIM1RPS6KA3ALDH1A1
SCHEMBL15045596 0.68 LMNA (0.38) CHEK1PARP1PIM1RPS6KA3ALDH1A1

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 2 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-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 (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-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

“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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