Sugi Predict

Sugi Predict / Compounds / SCHEMBL802429

SCHEMBL802429

SCHEMBL802429

Cc1nc(Nc2nc(-c3ccccc3Cl)nc3c2CCCCC3)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ USP1 O94782 2/20 0.40
▸ WDR48 Q8TAF3 2/20 0.40
▸ IGF1R P08069 2/20 0.39
▸ VCP P55072 2/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ EPHA4 P54764 1/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL805607 0.90 GSK3A (0.45) GSK3AGSK3BNPC1ALDH1A1RAB9A
SCHEMBL801795 0.87 USP1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL802165 0.87 USP1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL801800 0.85 GSK3A (0.40) GSK3AGSK3BALDH1A1LMNAKDM4E
SCHEMBL801830 0.84 GSK3A (0.60) GSK3AGSK3BALDH1A1LMNAMAPT
SCHEMBL801759 0.83 GSK3A (0.41) GSK3AGSK3BALDH1A1LMNAKDM4E
SCHEMBL802244 0.83 GSK3A (0.61) GSK3AGSK3BALDH1A1LMNAMAPT
SCHEMBL802773 0.82 LMNA (0.41) NPC1ALDH1A1RAB9ALMNAKDM4E
SCHEMBL801822 0.81 GSK3A (0.41) GSK3AGSK3BALDH1A1LMNAKDM4E
SCHEMBL786366 0.79 TRPA1 (0.43) NPC1ALDH1A1RAB9ALMNAKDM4E

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 17 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-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 GSK3A 3/4885GSK3B 1/4885NPC1 3611/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3A 2/4885GSK3B 1/4885NPC1 2844/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GSK3A 3/4885GSK3B 1/4885NPC1 3611/4885

“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.