SCHEMBL12328336

SCHEMBL12328336

Cc1nc2ccc3c(C)cncc3c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ TYMS P04818 10/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ IP6K1 Q92551 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
SCHEMBL12328108 0.81 HSD17B10 (0.36) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL13120673 0.77 TYMS (0.48) PARP1ALDH1A1TNKS2TYMSKDM4E
SCHEMBL13120672 0.76 TYMS (0.41) PARP1ALDH1A1TNKS2TYMSKDM4E
SCHEMBL13383928 0.74 ALDH1A1 (0.48) PARP1ALDH1A1TNKS2TYMSKDM4E
SCHEMBL15045473 0.73 ALDH1A1 (0.45) PARP1ALDH1A1TNKS2TYMSKDM4E
SCHEMBL15045558 0.72 GAA (0.41) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2756731 0.70 CYP1A2 (0.44) ALDH1A1TYMSKDM4ELMNAHSD17B10
SCHEMBL353027 0.70 ALDH1A1 (0.41) PARP1ALDH1A1TNKS2TYMSKDM4E
SCHEMBL10644678 0.69 TYMS (0.60) PARP1ALDH1A1TNKS2TYMSKDM4E
SCHEMBL15045589 0.69 CYP1A2 (0.42) PARP1ALDH1A1TNKS2TYMSKDM4E

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 4 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
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 — — 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 (3 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 PARP1 2530/4885ALDH1A1 578/4885TNKS2 3628/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L PARP1 1673/4885ALDH1A1 3470/4885TNKS2 1701/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S PARP1 4277/4885ALDH1A1 743/4885TNKS2 4850/4885

“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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