Sugi Predict

Sugi Predict / Compounds / SCHEMBL3617645

SCHEMBL3617645

SCHEMBL3617645

N#Cc1c[nH]c(=O)c2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.47
▸ TNKS2 Q9H2K2 2/20 0.47
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ MCL1 Q07820 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAP3K9 P80192 5/20 0.37
▸ MAP3K11 Q16584 5/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ DPYD Q12882 1/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL11888475 0.78 TNKS (0.51) TNKSTNKS2MCL1KDM4EALDH1A1
SCHEMBL3603313 0.78 TNKS (0.51) TNKSTNKS2MCL1KDM4EALDH1A1
SCHEMBL5252469 0.77 DYRK1A (0.43) TNKSTNKS2IMPDH2IMPDH1MCL1
SCHEMBL11025589 0.72 IMPDH2 (0.60) IMPDH2IMPDH1MCL1KDM4EALDH1A1
SCHEMBL17540374 0.70 TNKS (0.36) TNKSTNKS2IMPDH2IMPDH1KDM4E
SCHEMBL18098707 0.70 KDM4E (0.40) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL11632408 0.69 CA1 (0.50) TNKSTNKS2KDM4EALDH1A1MEN1
SCHEMBL22379186 0.69 SLC9A1 (0.40) TNKSTNKS2MEN1KMT2AMAP3K9
SCHEMBL17010959 0.69 GPR3 (0.60) TNKSTNKS2MCL1KDM4EALDH1A1
SCHEMBL22379192 0.68 MAP3K9 (0.40) TNKSTNKS2MEN1KMT2AMAP3K9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 — — US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 — — US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 — — US disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 — — EP disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 — — US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 — — US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 — — 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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 TNKS 95/4885TNKS2 135/4885IMPDH2 4163/4885

“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.