Sugi Predict

Sugi Predict / Compounds / SCHEMBL802816

SCHEMBL802816

SCHEMBL802816

Cc1n[nH]c(Nc2nc(-c3ccncc3)nc3ccccc23)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.66
▸ AURKA O14965 2/20 0.66
▸ SRC P12931 2/20 0.66
▸ KDM4E B2RXH2 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ POLB P06746 3/20 0.62
▸ PDE5A O76074 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ TGFBR1 P36897 1/20 0.59
▸ MAPK14 Q16539 1/20 0.59
▸ ABCG2 Q9UNQ0 4/20 0.56
▸ GSK3A P49840 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABCC1 P33527 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PTGS1 P23219 1/20 0.55
▸ TBXAS1 P24557 1/20 0.55

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
SCHEMBL786303 0.92 GSK3B (0.64) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL801860 0.90 GSK3B (0.62) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL802261 0.85 GBA1 (0.52) GSK3BAURKASRCKDM4EALDH1A1
SCHEMBL802260 0.84 ABCG2 (0.53) GSK3BAURKASRCPDE5ASMN1; SMN2
SCHEMBL802256 0.83 AURKA (0.69) GSK3BAURKASRCALDH1A1PDE5A
SCHEMBL786265 0.80 GSK3B (0.68) GSK3BAURKASRCKDM4EALDH1A1
SCHEMBL802191 0.80 AURKA (1.00) GSK3BAURKASRCKDM4EALDH1A1
SCHEMBL802825 0.78 MEN1 (0.54) GSK3BAURKASRCKDM4EALDH1A1
SCHEMBL7434986 0.77 ALDH1A1 (1.00) GSK3BKDM4EALDH1A1RXFP1POLB
SCHEMBL14262837 0.77 KDM4E (0.94) GSK3BKDM4EALDH1A1RXFP1POLB

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 GSK3B 1/4885AURKA 7/4885SRC 369/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885AURKA 8/4885SRC 208/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GSK3B 1/4885AURKA 7/4885SRC 369/4885

“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.