Sugi Predict

Sugi Predict / Compounds / SCHEMBL786489

SCHEMBL786489

SCHEMBL786489

CC(C)(C)c1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.60
▸ CYP2C19 P33261 6/20 0.60
▸ CYP2D6 P10635 6/20 0.60
▸ RECQL P46063 1/20 0.60
▸ CYP3A4 P08684 5/20 0.57
▸ TSHR P16473 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ USP1 O94782 12/20 0.55
▸ WDR48 Q8TAF3 12/20 0.55
▸ CLK4 Q9HAZ1 3/20 0.53
▸ USP2 O75604 2/20 0.52

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
SCHEMBL786098 0.87 CYP1A2 (0.62) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL786023 0.86 CYP1A2 (0.60) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL13342165 0.86 CYP1A2 (0.60) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL786449 0.84 GSK3B (0.60) MEN1KMT2ALMNATP53MAPT
SCHEMBL786508 0.84 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL786823 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL786157 0.82 CYP1A2 (0.59) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL801474 0.81 CYP1A2 (0.63) CYP1A2CYP2C19CYP2D6RECQLCYP3A4
SCHEMBL786160 0.81 GSK3B (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL786484 0.79 USP1 (0.56) CYP1A2CYP2C19CYP2D6RECQLCYP3A4

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 35 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-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-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-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-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
EP-1318814-B1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-05-30 — — EP disclosed
EP-1318997-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-06-18 — — EP disclosed
EP-1317447-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-11 — — EP disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
WO-2002022603-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022607-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO 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 (9 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A CYP1A2 1868/4885CYP2C19 2557/4885CYP2D6 3654/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP2C19 2691/4885CYP2D6 3096/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 CYP1A2 2368/4885CYP2C19 2369/4885CYP2D6 1719/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1526/4885CYP2C19 1494/4885CYP2D6 2880/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885CYP2C19 1702/4885CYP2D6 4165/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1765/4885CYP2C19 2440/4885CYP2D6 2317/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP2C19 2691/4885CYP2D6 3096/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1780/4885CYP2C19 2615/4885CYP2D6 3196/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP CYP1A2 997/4885CYP2C19 1466/4885CYP2D6 2151/4885

“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.