Sugi Predict

Sugi Predict / Compounds / SCHEMBL786175

SCHEMBL786175

SCHEMBL786175

Cc1cc(Nc2nc(-c3cccc(C)c3C)nc3ccccc23)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.50
▸ CYP3A4 P08684 8/20 0.50
▸ HSD17B10 Q99714 7/20 0.50
▸ CYP2D6 P10635 6/20 0.50
▸ CLK4 Q9HAZ1 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP2C19 P33261 4/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ USP2 O75604 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GSK3B P49841 4/20 0.46
▸ GSK3A P49840 3/20 0.46
▸ AURKA O14965 3/20 0.46
▸ SRC P12931 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ EIF2AK2 P19525 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL786854 0.92 CYP1A2 (0.60) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL27592459 0.88 GSK3B (0.48) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL786683 0.87 GSK3B (0.49) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL785492 0.86 GSK3B (0.54) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL786017 0.86 CYP1A2 (0.61) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL785448 0.85 MEN1 (0.60) LMNAGSK3BGSK3AAURKASRC
SCHEMBL786375 0.83 USP1 (0.48) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL786844 0.83 CYP1A2 (0.61) CYP1A2CYP3A4HSD17B10CYP2D6CLK4
SCHEMBL786402 0.83 GSK3B (0.65) LMNAGSK3BGSK3AAURKASRC
SCHEMBL786098 0.82 CYP1A2 (0.62) CYP1A2CYP3A4HSD17B10CYP2D6CLK4

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 32 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
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 — — US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — US 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

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 1868/4885CYP3A4 1946/4885HSD17B10 3526/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP3A4 1976/4885HSD17B10 2364/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 CYP1A2 2368/4885CYP3A4 1987/4885HSD17B10 3742/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1526/4885CYP3A4 1790/4885HSD17B10 3663/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885CYP3A4 2929/4885HSD17B10 3806/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1765/4885CYP3A4 1663/4885HSD17B10 2554/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP3A4 1976/4885HSD17B10 2364/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B CYP1A2 1780/4885CYP3A4 1614/4885HSD17B10 2152/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP CYP1A2 997/4885CYP3A4 1312/4885HSD17B10 3227/4885

“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.