Sugi Predict

Sugi Predict / Compounds / SCHEMBL802262

SCHEMBL802262

SCHEMBL802262

c1ccc2c(Nc3cc(C4CC4)n[nH]3)nc(N3CCCCCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.56
▸ PAK1 Q13153 1/20 0.56
▸ KDM4E B2RXH2 5/20 0.52
▸ GAA P10253 5/20 0.52
▸ LMNA P02545 3/20 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
▸ HSD17B10 Q99714 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 2/20 0.48
▸ CCR4 P51679 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ GLA P06280 3/20 0.48

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
SCHEMBL786704 0.91 PAK4 (0.68) PAK4PAK1KDM4EGAALMNA
SCHEMBL786097 0.88 PAK4 (0.52) PAK4PAK1KDM4EMAPTNPSR1
SCHEMBL786280 0.87 PAK4 (0.51) PAK4PAK1KDM4EMAPTPOLB
SCHEMBL27573978 0.86 PAK4 (0.51) PAK4PAK1KDM4ELMNAMAPT
SCHEMBL786394 0.85 PAK4 (0.50) PAK4PAK1KDM4EMAPTNPSR1
SCHEMBL786305 0.85 PAK4 (0.49) PAK4PAK1KDM4EMAPTPOLB
SCHEMBL786228 0.84 KDM4E (0.57) PAK4PAK1KDM4EGAALMNA
SCHEMBL802188 0.84 KDM4E (0.57) PAK4PAK1KDM4EGAALMNA
SCHEMBL786212 0.81 PAK4 (0.44) PAK4PAK1KDM4ELMNAMAPT
SCHEMBL786284 0.81 PAK4 (0.45) PAK4PAK1LMNAMAPTPOLB

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 26 patents — showing the first 20. 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-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — 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-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-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 — — US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 — — 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 (2 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PAK4 973/4885PAK1 702/4885KDM4E 1040/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A PAK4 364/4885PAK1 479/4885KDM4E 1621/4885

“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.