Sugi Predict

Sugi Predict / Compounds / SCHEMBL786291

SCHEMBL786291

SCHEMBL786291

Cc1cc(Nc2nccc(N3CCC(C)CC3)n2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 7/20 0.51
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HRH4 Q9H3N8 11/20 0.44
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL786214 0.79 ACHE (0.54) —
SCHEMBL27924498 0.73 TERT (0.45) LMNAMEN1ALDH1A1KMT2A
SCHEMBL22932938 0.71 OGA (0.52) OGAADRA2BADRA2CSLC6A2HTR1D
SCHEMBL786266 0.70 HTR2C (0.39) HTR2CLMNASMN1; SMN2GAAALOX15
SCHEMBL786361 0.70 PAK4 (0.65) HTR2CLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL786734 0.70 OGA (0.51) OGAADRA2BADRA2CSLC6A2HTR1D
SCHEMBL786532 0.69 IGF1R (0.44) HTR2CLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL786662 0.67 MAPT (0.40) HTR2CMEN1ALDH1A1KMT2A
SCHEMBL22616978 0.67 HRH3 (0.73) OGAADRA2BADRA2CSLC6A2HTR1D
SCHEMBL3670127 0.65 GRM4 (0.37) —

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 47 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
EP-1317448-B2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 — — EP 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-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-2002022604-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-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 (8 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 OGA 1575/4885ADRA2B 2247/4885ADRA2C 1196/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A OGA 2450/4885ADRA2B 3388/4885ADRA2C 2903/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 OGA 785/4885ADRA2B 2434/4885ADRA2C 1247/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 OGA 1133/4885ADRA2B 3704/4885ADRA2C 2956/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B OGA 945/4885ADRA2B 2166/4885ADRA2C 1204/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A OGA 2450/4885ADRA2B 3388/4885ADRA2C 2903/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B OGA 2682/4885ADRA2B 3133/4885ADRA2C 2574/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP OGA 760/4885ADRA2B 2603/4885ADRA2C 1192/4885

“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.