Sugi Predict

Sugi Predict / Compounds / SCHEMBL801817

SCHEMBL801817

SCHEMBL801817

Cc1nc(Nc2cc(C3CCCCN3S(C)(=O)=O)nc(-c3ccccc3Cl)n2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ AXL P30530 4/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ PRKAB2 O43741 1/20 0.32

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
SCHEMBL801847 0.86 HCRTR1 (0.38) SMN1; SMN2NPC1ALDH1A1RAB9ATP53
SCHEMBL802489 0.73 LCK (0.37) MEN1KMT2AGSK3AGSK3B
SCHEMBL802513 0.69 CCNC (0.39) ALDH1A1RAB9ATP53KDM4EGSK3B
SCHEMBL802425 0.69 HCRTR2 (0.37) ALDH1A1LMNAMEN1KMT2A
SCHEMBL802439 0.69 CYP1A2 (0.53) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL802440 0.68 ALDH1A1 (0.42) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL805609 0.67 ALDH1A1 (0.34) SMN1; SMN2NPC1ALDH1A1RAB9AMAPK1
SCHEMBL13055050 0.67 LCK (0.33) GSK3AGSK3B
SCHEMBL802432 0.66 CYP1A2 (0.35) ALDH1A1LMNAMEN1KMT2AGSK3A
SCHEMBL801845 0.66 MAP3K12 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A SMN1; SMN2 3803/4885NPC1 3611/4885ALDH1A1 4625/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 SMN1; SMN2 4008/4885NPC1 2844/4885ALDH1A1 4768/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A SMN1; SMN2 3803/4885NPC1 3611/4885ALDH1A1 4625/4885

“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.