Sugi Predict

Sugi Predict / Compounds / SCHEMBL313614

SCHEMBL313614

SCHEMBL313614

CC(=O)c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ SCN9A Q15858 2/20 0.47
▸ RXRA P19793 3/20 0.47
▸ RXRB P28702 2/20 0.47
▸ RXRG P48443 2/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ CREBBP Q92793 1/20 0.45
▸ KIF11 P52732 1/20 0.44

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
SCHEMBL30440465 0.88 CREBBP (0.60) CYP2C9MEN1CYP2C19HTTKMT2A
SCHEMBL311898 0.88 KIF11 (0.48) CYP2C9KDM4EMEN1CYP2D6MAPT
SCHEMBL314656 0.88 CREBBP (0.60) CYP2C9MEN1CYP2C19HTTKMT2A
SCHEMBL10323654 0.85 RXRA (0.45) CYP2C9KDM4EMEN1CYP2D6MAPT
SCHEMBL30440212 0.85 THRA (0.56) MAPTHTTS1PR1SCN9ARXRA
SCHEMBL10088909 0.85 NOTUM (0.56) CYP2C9KDM4EMEN1CYP2D6MAPT
SCHEMBL17386686 0.85 THRA (0.56) MAPTHTTS1PR1SCN9ARXRA
SCHEMBL15351028 0.84 ALDH1A1 (0.46) CYP2C9KDM4ERXRAALDH1A1MAOB
SCHEMBL3176541 0.84 S1PR1 (0.48) CYP2C9KDM4EMEN1CYP2D6MAPT
SCHEMBL840210 0.84 KDM4E (0.54) CYP2C9KDM4EMEN1CYP2D6MAPT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 — — US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 — — US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
EP-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 — — EP disclosed
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 — — EP disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 — — EP disclosed
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 — — US disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 — — US disclosed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 — — US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 — — US disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 — — EP disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 — — US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 — — WO disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 — — EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 — — WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 — — US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 — — US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — 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-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 CYP2C9 1974/4885KDM4E 1714/4885MEN1 2306/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 CYP2C9 95/4885KDM4E 3638/4885MEN1 2675/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CYP2C9 396/4885KDM4E 1251/4885MEN1 2567/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 CYP2C9 1974/4885KDM4E 1714/4885MEN1 2306/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 CYP2C9 650/4885KDM4E 2684/4885MEN1 4171/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 CYP2C9 3153/4885KDM4E 1308/4885MEN1 1857/4885

“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.