Sugi Predict

Sugi Predict / Compounds / SCHEMBL786282

SCHEMBL786282

SCHEMBL786282

Cc1cc(Nc2cc(-c3ccco3)n[nH]2)nc(-c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.40
▸ SCN9A Q15858 2/20 0.38
▸ MAPT P10636 7/20 0.37
▸ KDM4E B2RXH2 7/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 8/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ RECQL P46063 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL786119 0.85 ABCG2 (0.43) SCN9AMAPTKDM4EMAPK1L3MBTL1
SCHEMBL5257796 0.84 IGF1R (0.49) SCN9AMAPTKDM4EMAPK1L3MBTL1
SCHEMBL785990 0.80 MEN1 (0.47) PDE10AMAPTKDM4EMEN1KMT2A
SCHEMBL786002 0.80 PDE10A (0.42) PDE10AMAPTKDM4EL3MBTL1MEN1
SCHEMBL786036 0.77 PDE10A (0.45) PDE10AMAPTKDM4EMEN1KMT2A
SCHEMBL5256614 0.74 ABCG2 (0.44) MAPTKDM4EMAPK1L3MBTL1MEN1
SCHEMBL2203568 0.74 PDE10A (0.40) PDE10AMAPTKDM4EMAPK1L3MBTL1
SCHEMBL786116 0.74 TRPA1 (0.36) SCN9AMAPTKDM4EMAPK1L3MBTL1
SCHEMBL2205711 0.72 PDE10A (0.42) PDE10AMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL2206156 0.72 PDE10A (0.40) PDE10AMAPTKDM4EALDH1A1HPGD

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 44 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
US-20060258658-A1 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-16 — — 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-2002022602-A2 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022606-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-2002022608-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-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 (7 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 PDE10A 4234/4885SCN9A 3510/4885MAPT 190/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A PDE10A 4134/4885SCN9A 4209/4885MAPT 314/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 PDE10A 2173/4885SCN9A 3497/4885MAPT 799/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PDE10A 3062/4885SCN9A 1323/4885MAPT 383/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PDE10A 4053/4885SCN9A 3572/4885MAPT 173/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A PDE10A 4134/4885SCN9A 4209/4885MAPT 314/4885
US-20060258658-A1 Triazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, CDK19 PDE10A 3062/4885SCN9A 1323/4885MAPT 383/4885

“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.