Sugi Predict

Sugi Predict / Compounds / SCHEMBL786318

SCHEMBL786318

SCHEMBL786318

Cc1cc(Nc2nc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.62
▸ GSK3A P49840 4/20 0.62
▸ AURKA O14965 4/20 0.62
▸ SRC P12931 2/20 0.62
▸ AURKB Q96GD4 2/20 0.62
▸ EIF2AK2 P19525 1/20 0.62
▸ ABCG2 Q9UNQ0 5/20 0.55
▸ MAPT P10636 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ABCB1 P08183 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ PDE5A O76074 5/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ ACP1 P24666 1/20 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
SCHEMBL786402 0.97 GSK3B (0.65) GSK3BGSK3AAURKASRCAURKB
SCHEMBL786173 0.93 PDE5A (0.60) GSK3BGSK3AAURKASRCAURKB
SCHEMBL12653753 0.92 GSK3B (0.56) GSK3BGSK3AAURKASRCAURKB
SCHEMBL12653900 0.92 GSK3B (0.56) GSK3BGSK3AAURKASRCAURKB
SCHEMBL786191 0.92 ABCG2 (0.58) GSK3BGSK3AAURKASRCAURKB
SCHEMBL786621 0.92 CYP1A1 (0.60) GSK3BGSK3AAURKASRCAURKB
SCHEMBL786265 0.90 GSK3B (0.68) GSK3BGSK3AAURKASRCAURKB
SCHEMBL785420 0.90 KDM1A (0.63) GSK3BGSK3AAURKASRCAURKB
SCHEMBL786730 0.90 ABCG2 (0.62) GSK3BGSK3AAURKASRCAURKB
SCHEMBL786285 0.89 AURKA (0.69) GSK3BGSK3AAURKASRCAURKB

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 66 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-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-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-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-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-2002022605-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022603-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022604-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
WO-2002022601-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 (6 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 GSK3B 4/4885GSK3A 3/4885AURKA 2/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 GSK3B 461/4885GSK3A 455/4885AURKA 191/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885GSK3A 2/4885AURKA 8/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885GSK3A 4/4885AURKA 2/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885GSK3A 4/4885AURKA 2/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885AURKA 255/4885

“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.