Sugi Predict

Sugi Predict / Compounds / SCHEMBL805606

SCHEMBL805606

SCHEMBL805606

N#Cc1ccccc1-c1cc(-c2cccnc2)nc(Nc2n[nH]c3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.40
▸ PIM1 P11309 4/20 0.39
▸ CLK2 P49760 4/20 0.39
▸ CLK3 P49761 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ WNT1 P04628 2/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL802388 0.83 GRM4 (0.43) GRM4LRRK2IDO1PIM1CLK2
SCHEMBL801700 0.79 FADS1 (0.43) GRM4LRRK2IDO1DYRK1AWNT1
SCHEMBL12620033 0.77 FADS1 (0.41) GRM4LRRK2IDO1PIM1CDK7
SCHEMBL801694 0.74 VCP (0.43) GRM4IDO1TGFBR1ALDH1A1KDM4E
SCHEMBL802337 0.74 GRM4 (0.45) GRM4LRRK2WNT1TGFBR1ALDH1A1
SCHEMBL801707 0.72 USP1 (0.50) GRM4LRRK2IDO1CDK7ALDH1A1
SCHEMBL802377 0.72 USP1 (0.50) GRM4LRRK2IDO1CDK7ALDH1A1
SCHEMBL805604 0.72 ACP1 (0.43) GRM4PDE10ACYP1A2CYP2C19ADORA2A
SCHEMBL12620024 0.71 USP1 (0.43) GRM4TGFBR1ALDH1A1KDM4EHPGD
SCHEMBL801686 0.71 TRPA1 (0.40) GRM4LRRK2ALDH1A1CYP1A2CYP3A4

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 9 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-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

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 GRM4 4253/4885LRRK2 315/4885IDO1 941/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GRM4 3726/4885LRRK2 317/4885IDO1 982/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GRM4 4253/4885LRRK2 315/4885IDO1 941/4885

“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.