SCHEMBL1348342

SCHEMBL1348342

FC(F)(F)c1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
MAPT P10636 3/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
FUBP1 Q96AE4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL6031855 0.90 TP53 (0.52) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6030715 0.88 KDM4E (0.60) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL1348580 0.87 TP53 (0.64) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL14827419 0.87 FUBP1 (0.56) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6031310 0.87 MAPT (0.64) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL31560196 0.87 TP53 (0.68) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL1346620 0.86 TP53 (0.52) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL1348522 0.84 HPGD (0.44) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1348686 0.84 PDE10A (0.51) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6031420 0.83 HPGD (0.67) TP53MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4708438-B2 2011-06-22 JP claimed
JP-2008530042-A 2008-08-07 JP claimed
EP-1851225-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-07 EP claimed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO claimed
CN-119899187-A Synthesis method of pyrazolo [1,5-a ] pyrimidine-7-amine compound 湖南九典制药股份有限公司 2025-04-29 CN disclosed
US-9447099-B2 Methods for the preparation of 5-[2-[7 (trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo [1,5-A]pyrimidin-3-yl[ethynyl]-2-pyridinamine HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-9447099-B2 Methods for the preparation of 5-[2-[7 (trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo [1,5-A]pyrimidin-3-yl[ethynyl]-2-pyridinamine HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
WO-2013050310-A1 METHODS FOR THE PREPARATION OF 5-[2-[7-(TRIFLUOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130085278-A1 METHODS FOR THE PREPARATION OF 5-[2-[7 (TRIFLUOROMETHYL)-5-[4- (TRIFLUOROMETHYL)PHENYL]PYRAZOLO [1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE Hoffmann-La Roche Inc (US) 2013-04-04 US disclosed
US-20130085278-A1 METHODS FOR THE PREPARATION OF 5-[2-[7 (TRIFLUOROMETHYL)-5-[4- (TRIFLUOROMETHYL)PHENYL]PYRAZOLO [1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE Hoffmann-La Roche Inc (US) 2013-04-04 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
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 EP 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-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
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 (5 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 TP53 2476/4885MAPT 181/4885KDM4E 1335/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 TP53 2476/4885MAPT 181/4885KDM4E 1335/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 TP53 2476/4885MAPT 181/4885KDM4E 1335/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT TP53 2462/4885MAPT 260/4885KDM4E 1296/4885
US-20130085278-A1 METHODS FOR THE PREPARATION OF 5-[2-[7 (TRIFLUOROMETHYL)-5-[4- (TRIFLUOROMETHYL)PHENYL]PYRAZOLO [1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE HTR5A, TPH1, GRIK5 TP53 4763/4885MAPT 790/4885KDM4E 561/4885

“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.