Sugi Predict

Sugi Predict / Compounds / SCHEMBL801924

SCHEMBL801924

SCHEMBL801924

CC(C)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2C Q8TBX8 3/20 0.55
▸ PIP4K2A P48426 1/20 0.52
▸ USP1 O94782 3/20 0.52
▸ WDR48 Q8TAF3 3/20 0.52
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42

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
SCHEMBL10266745 0.84 MEN1 (0.45) USP1WDR48CYP1A2CYP3A4HSD17B10
SCHEMBL785479 0.84 CYP1A2 (0.61) USP1WDR48CYP1A2CYP3A4HSD17B10
SCHEMBL801910 0.83 FADS1 (0.47) USP1WDR48CYP1A2CYP3A4HSD17B10
SCHEMBL801930 0.82 MEN1 (0.45) USP1WDR48CYP1A2CYP3A4HSD17B10
SCHEMBL786005 0.82 CYP1A2 (0.60) USP1WDR48CYP1A2CYP3A4HSD17B10
SCHEMBL801927 0.82 MEN1 (0.64) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL801503 0.82 PIP4K2C (0.52) PIP4K2CPIP4K2AUSP1WDR48CYP1A2
SCHEMBL13055083 0.82 AURKA (0.39) PIP4K2CPIP4K2AUSP1WDR48CLK4
SCHEMBL1084006 0.81 USP1 (0.53) USP1WDR48CYP1A2CYP3A4HSD17B10
SCHEMBL802125 0.81 CYP1A2 (0.50) USP1WDR48CYP1A2CYP3A4HSD17B10

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 PIP4K2C 386/4885PIP4K2A 355/4885USP1 3754/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PIP4K2C 996/4885PIP4K2A 1104/4885USP1 3070/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A PIP4K2C 386/4885PIP4K2A 355/4885USP1 3754/4885

“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.