Sugi Predict

Sugi Predict / Compounds / SCHEMBL802270

SCHEMBL802270

SCHEMBL802270

COC(=O)c1n[nH]c(Nc2nc(N3CCCCC3)nc3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ GAA P10253 5/20 0.52
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ HSD17B10 Q99714 5/20 0.51
▸ TSHR P16473 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ HPGD P15428 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ HTR2A P28223 4/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ CTNNB1 P35222 2/20 0.47

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
SCHEMBL802461 0.87 ADORA3 (0.53) KDM4EGAALMNAMAPTPOLB
SCHEMBL786466 0.82 KDM4E (0.53) KDM4EGAALMNAMAPTPOLB
SCHEMBL3642575 0.76 CTNNB1 (0.68) KDM4EGAALMNAMAPTNPSR1
SCHEMBL802206 0.74 KDM4E (0.55) KDM4EGAALMNAMAPTPOLB
SCHEMBL785671 0.74 KDM4E (0.55) KDM4EGAALMNAMAPTPOLB
SCHEMBL3642979 0.73 HRH4 (0.75) KDM4EGAALMNAMAPTPOLB
SCHEMBL786386 0.73 ADORA3 (0.54) KDM4EGAALMNAMAPTPOLB
SCHEMBL786228 0.73 KDM4E (0.57) KDM4EGAALMNAMAPTPOLB
SCHEMBL7031171 0.73 IGF1R (0.62) PAK4PAK1
SCHEMBL802188 0.73 KDM4E (0.57) KDM4EGAALMNAMAPTPOLB

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 KDM4E 1621/4885GAA 4421/4885LMNA 4218/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 KDM4E 1040/4885GAA 2990/4885LMNA 3063/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A KDM4E 1621/4885GAA 4421/4885LMNA 4218/4885

“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.