Sugi Predict

Sugi Predict / Compounds / SCHEMBL312486

SCHEMBL312486

SCHEMBL312486

CCOc1cc(C(C)=O)ccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 5/20 0.56
▸ HTT P42858 1/20 0.48
▸ KIF11 P52732 1/20 0.48
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ RAD52 P43351 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 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
SCHEMBL1347587 0.88 TSHR (0.60) RXRARXRBRXRGTSHRMAPK1
SCHEMBL314656 0.88 CREBBP (0.60) CREBBPHTTRXRARXRBRXRG
SCHEMBL311898 0.88 KIF11 (0.48) CREBBPHTTKIF11RXRARXRB
SCHEMBL30440465 0.88 CREBBP (0.60) CREBBPHTTRXRARXRBRXRG
SCHEMBL25860219 0.85 HSD17B2 (0.52) RXRARXRBRXRGCYP1A2CYP2C9
SCHEMBL1346578 0.82 PLOD2 (0.49) CREBBPRXRARXRBRXRGCYP1A2
SCHEMBL16838797 0.82 KIF11 (0.51) HTTKIF11CYP1A2CYP2C9CYP2C19
SCHEMBL18374354 0.81 PDE4B (0.46) KIF11MAOAMAOB
SCHEMBL1348472 0.80 MLYCD (0.47) RXRARXRBRXRGCYP1A2CYP2C9
SCHEMBL3034164 0.80 CREBBP (0.72) CREBBPHTTTSHRMAPK1CYP3A4

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 40 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
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 — — 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
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 — — US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — US disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 — — EP disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 — — CN disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 — — US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 — — WO 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-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 CREBBP 743/4885HTT 1390/4885KIF11 1003/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 CREBBP 1528/4885HTT 2091/4885KIF11 2531/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CREBBP 1394/4885HTT 2289/4885KIF11 3351/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 CREBBP 743/4885HTT 1390/4885KIF11 1003/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 CREBBP 2934/4885HTT 1668/4885KIF11 1243/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 CREBBP 1236/4885HTT 3695/4885KIF11 2437/4885

“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.