Sugi Predict

Sugi Predict / Compounds / SCHEMBL801730

SCHEMBL801730

SCHEMBL801730

Cc1ccccc1-c1ncnc(Nc2n[nH]c3ccc(F)cc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.45
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RIPK2 O43353 4/20 0.40
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ RIPK3 Q9Y572 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CCNT1 O60563 3/20 0.37
▸ CCNE1 P24864 3/20 0.37

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
SCHEMBL801728 0.87 FADS1 (0.50) FADS1GSK3AGSK3BRIPK2GAK
SCHEMBL13938155 0.80 CYP1A2 (0.54) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL802369 0.79 GSK3A (0.63) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL801639 0.76 GSK3A (0.50) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL802675 0.75 GSK3A (0.51) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL801665 0.75 FADS1 (0.51) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL802250 0.74 FADS1 (0.45) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL801511 0.74 FADS1 (0.41) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL801635 0.74 FADS1 (0.49) FADS1GSK3AGSK3BCYP1A2CYP3A4
SCHEMBL802321 0.73 GSK3A (0.56) FADS1GSK3AGSK3BALDH1A1RIPK2

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-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-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 FADS1 1449/4885GSK3A 3/4885GSK3B 1/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 FADS1 3442/4885GSK3A 2/4885GSK3B 1/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A FADS1 1449/4885GSK3A 3/4885GSK3B 1/4885

“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.