Sugi Predict

Sugi Predict / Compounds / SCHEMBL1348367

SCHEMBL1348367

SCHEMBL1348367

FC(F)(F)c1ccc(-c2cc(C(F)(F)F)n3ncc(I)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 10/20 0.52
▸ ALDH1A1 P00352 9/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TSHR P16473 3/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL14827423 0.88 KDM4E (0.68) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1348242 0.88 HPGD (0.57) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1347317 0.87 KDM4E (0.51) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1348407 0.85 KDM4E (0.44) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1348276 0.84 KDM4E (0.53) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL14827421 0.84 KDM4E (0.59) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1348326 0.81 PLAT (0.43) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1348602 0.81 KDM4E (0.51) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL313181 0.81 CSNK2A1 (0.56) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL1348200 0.81 KDM4E (0.50) KDM4EMAPTHPGDALDH1A1HSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — 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 KDM4E 1335/4885MAPT 181/4885HPGD 347/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 KDM4E 1335/4885MAPT 181/4885HPGD 347/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 KDM4E 1335/4885MAPT 181/4885HPGD 347/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT KDM4E 1296/4885MAPT 260/4885HPGD 253/4885
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 KDM4E 561/4885MAPT 790/4885HPGD 2659/4885

“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.