Sugi Predict

Sugi Predict / Compounds / SCHEMBL312225

SCHEMBL312225

SCHEMBL312225

COc1ccc(CNc2ncccc2C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ USP1 O94782 2/20 0.56
▸ WDR48 Q8TAF3 2/20 0.56
▸ EGFR P00533 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NR2F2 P24468 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL119763 0.83 CYP1A2 (0.57) USP1WDR48EGFRHIF1A
SCHEMBL1347342 0.82 NPC1 (0.62) NPC1EGFRPOLBNR2F2MAPT
SCHEMBL25804769 0.81 PTK2 (0.49) NPC1USP1WDR48EGFRPOLB
SCHEMBL12675591 0.80 NPC1 (0.64) NPC1EGFRPOLBNR2F2MAPT
SCHEMBL28283742 0.80 NPC1 (0.64) NPC1EGFRPOLBNR2F2MAPT
SCHEMBL6131117 0.79 NPC1 (0.62) NPC1EGFRPOLBNR2F2MAPT
SCHEMBL21382408 0.79 NPC1 (0.62) NPC1EGFRPOLBNR2F2HIF1A
SCHEMBL30835278 0.79 NPC1 (0.62) NPC1EGFRPOLBNR2F2TP53
SCHEMBL16856790 0.79 NPC1 (0.47) NPC1USP1WDR48EGFRPOLB
SCHEMBL29999499 0.78 NPC1 (0.58) NPC1EGFRPOLBNR2F2MAPT

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 20 patents. 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
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
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 — — US disclosed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 — — US disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 — — US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — US 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
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

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-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 NPC1 2411/4885USP1 3484/4885WDR48 2780/4885
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 NPC1 639/4885USP1 4669/4885WDR48 3415/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 NPC1 639/4885USP1 4669/4885WDR48 3415/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 NPC1 639/4885USP1 4669/4885WDR48 3415/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 NPC1 2411/4885USP1 3484/4885WDR48 2780/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT NPC1 733/4885USP1 4617/4885WDR48 3938/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 NPC1 1674/4885USP1 3109/4885WDR48 3132/4885

“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.