Sugi Predict

Sugi Predict / Compounds / SCHEMBL786734

SCHEMBL786734

SCHEMBL786734

CC1CCN(c2ccnc(Cl)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 7/20 0.51
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.47
▸ TRPV1 Q8NER1 7/20 0.46
▸ SORD Q00796 2/20 0.44
▸ MAPT P10636 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL3408440 0.83 TRPV1 (0.49) OGAHRH3TRPV1SORD
SCHEMBL3964095 0.83 HRH3 (0.69) OGAHRH3TRPV1SORDHRH4
SCHEMBL13574215 0.83 SORD (0.43) OGATRPV1SORDHRH4
SCHEMBL16854386 0.83 HRH4 (0.56) HRH3TRPV1HRH4
Hydrochloric Acid SCHEMBL2276239 0.82 HRH3 (0.67) OGAHRH3TRPV1SORDHRH4
SCHEMBL12184933 0.81 MAP4K4 (0.51) TRPV1HRH4
SCHEMBL22932938 0.81 OGA (0.52) OGAADRA2BADRA2CSLC6A2HTR1D
SCHEMBL3949154 0.80 TRPV1 (0.51) OGAHRH3TRPV1SORDHRH4
SCHEMBL29519276 0.80 TRPV1 (0.51) OGAHRH3TRPV1SORDHRH4
SCHEMBL1427479 0.80 TRPV1 (0.51) OGAHRH3TRPV1SORDHRH4

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 59 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
CN-1926132-B Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-29 — — CN 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-20030064981-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-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-2002022605-A1 PYRAZOLE 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-2002022608-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022602-A2 TRIAZOLE 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 (4 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-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

“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.