Sugi Predict

Sugi Predict / Compounds / SCHEMBL802159

SCHEMBL802159

SCHEMBL802159

Cc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)n[nH]1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.80
▸ AURKB Q96GD4 6/20 0.80
▸ SRC P12931 3/20 0.80
▸ GSK3B P49841 3/20 0.80
▸ EIF2AK2 P19525 1/20 0.80
▸ GSK3A P49840 1/20 0.80
▸ MAPT P10636 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ HTT P42858 1/20 0.64
▸ CYP1A2 P05177 3/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ CLK4 Q9HAZ1 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ CYP2C19 P33261 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61

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
SCHEMBL31019653 1.00 AURKA (0.80) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL29435815 0.90 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL462877 0.90 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL29539480 0.89 AURKA (0.77) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL801605 0.88 AURKA (0.79) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802191 0.87 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL14726263 0.86 AURKA (0.70) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL24022423 0.84 AURKA (0.88) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802435 0.83 AURKA (0.82) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL786397 0.82 MAPK1 (0.64) MAPTMAPK1HTTCYP1A2CYP3A4

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 AURKA 7/4885AURKB 12/4885SRC 369/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 AURKA 8/4885AURKB 19/4885SRC 208/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A AURKA 7/4885AURKB 12/4885SRC 369/4885

“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.