Sugi Predict

Sugi Predict / Compounds / SCHEMBL802830

SCHEMBL802830

SCHEMBL802830

c1ccc(Oc2cccc(-c3nc(Nc4nc(C5CC5)n[nH]4)c4ccccc4n3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ CYP1A2 P05177 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ CLK4 Q9HAZ1 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ GSK3B P49841 4/20 0.49
▸ SRC P12931 3/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ ABCG2 Q9UNQ0 8/20 0.49

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
SCHEMBL786689 0.82 LMNA (0.50) LMNACYP1A2CYP3A4MAPK1MEN1
SCHEMBL801858 0.82 GSK3B (0.48) LMNACYP1A2CYP3A4MAPK1MEN1
SCHEMBL786441 0.76 ABCG2 (0.55) LMNACYP1A2CYP3A4MAPK1MEN1
SCHEMBL5104461 0.73 ABCG2 (0.79) MEN1KMT2ATP53ABCG2ABCB1
SCHEMBL5104273 0.71 ABCG2 (0.78) LMNAMEN1KMT2ATP53ABCG2
SCHEMBL720075 0.69 GSK3B (0.57) MEN1KMT2AGSK3BSRCCCNA2
SCHEMBL3998184 0.69 SRC (0.80) GSK3BSRCCCNA2CDK2GSK3A
SCHEMBL786303 0.69 GSK3B (0.64) LMNAMEN1KMT2ATP53GSK3B
SCHEMBL802256 0.68 AURKA (0.69) LMNACYP1A2CYP3A4MAPK1MEN1
SCHEMBL786037 0.67 ABCG2 (0.67) LMNACYP1A2CYP3A4MAPK1MEN1

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 LMNA 4218/4885CYP1A2 1818/4885CYP3A4 1976/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 LMNA 3063/4885CYP1A2 3042/4885CYP3A4 2929/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A LMNA 4218/4885CYP1A2 1818/4885CYP3A4 1976/4885

“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.