SCHEMBL15045633

SCHEMBL15045633

Cc1cc2ccc3nc(C)n(C)c3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DPP4 P27487 1/20 0.36
▸ PDE3B Q13370 3/20 0.35
▸ PDE3A Q14432 3/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL15045590 0.76 ALDH1A1 (0.40) KDM4EALDH1A1LMNADPP4PDE3B
SCHEMBL15045442 0.75 ALDH1A1 (0.40) KDM4EALDH1A1LMNADPP4PDE3B
SCHEMBL15045643 0.74 KDM4E (0.33) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL18373921 0.73 KDM4E (0.41) KDM4EALDH1A1LMNAMAPTCHRNB2
SCHEMBL4429156 0.71 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTNPY5R
SCHEMBL18133624 0.69 DPP4 (0.42) KDM4EALDH1A1LMNADPP4PDE3B
SCHEMBL15045615 0.68 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL17561690 0.68 DPP4 (0.39) KDM4EALDH1A1LMNADPP4PDE3B
SCHEMBL13541836 0.67 DPP4 (0.41) KDM4EALDH1A1LMNADPP4PDE3B
SCHEMBL9300779 0.67 PDE10A (0.52) KDM4EALDH1A1LMNADPP4MAPT

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 KDM4E 2635/4885ALDH1A1 578/4885LMNA 1245/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885ALDH1A1 3470/4885LMNA 705/4885

“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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