SCHEMBL977522

SCHEMBL977522

CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL3117730 1.00 MAPK1 (0.35) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL80486 1.00 MAPK1 (0.35) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL25616307 0.92 ALDH1A1 (0.35) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL23925472 0.91 ALDH1A1 (0.33) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL23925473 0.91 ALDH1A1 (0.33) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL343322 0.91 MAPK1 (0.35) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL4818612 0.91 MAPK1 (0.35) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL976390 0.91 MAPK1 (0.35) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL4816443 0.89 CRHR1 (0.38) MAPK1KMT2AGAAMEN1ALDH1A1
SCHEMBL29783520 0.89 MAPK1 (0.34) MAPK1KMT2AGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149455-A1 Use of Triazolopyrimidines for Controlling Plant Diseases on Legumes BAYER CROPSCIENCE AG (DE) 2009-06-11 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP claimed
US-8974806-B2 Method for producing aqueous active substance compositions of active substances that are hardly soluble in water BASF AKTIENGESELLSCHAFT (DE) 2015-03-10 US disclosed
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
US-8728504-B2 Process for solubilizing hydrophobic active ingredients in aqueous medium BASF SE (DE) 2014-05-20 US disclosed
EP-2676680-A1 Use of hydrophobin polypeptides as penetration enhancers BASF SE (DE) 2013-12-25 EP disclosed
US-8497230-B2 Solid crop protection agents containing polyalkoxylate, method for their production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2013-07-30 US disclosed
EP-1763300-B1 USE OF ETHER GROUP-CONTAINING POLYMERS AS SOLUBILIZERS BASF SE (DE) 2013-05-15 EP disclosed
US-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT BASF SE (DE) 2011-12-22 US disclosed
US-20110195844-A1 PROCESS FOR SOLUBILIZING HYDROPHOBIC ACTIVE INGREDIENTS IN AQUEOUS MEDIUM BASF SE (DE) 2011-08-11 US disclosed
US-6855718-B2 7-(r)-aminotriazolopyrimidines, the production thereof and use of the same for combatting phytopathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed
US-20040110771-A1 7-(r)-aminotriazolopyrimidines, the production thereof and use of the same for combatting phytopathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 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-20040110771-A1 7-(r)-aminotriazolopyrimidines, the production thereof and use of the same for combatting phytopathogenic fungi CBR1, CBR3, DPM1 MAPK1 656/4885KMT2A 856/4885GAA 4022/4885
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 MAPK1 916/4885KMT2A 2012/4885GAA 1243/4885
US-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT PFN1, DSTN, CHN2 MAPK1 3589/4885KMT2A 4413/4885GAA 395/4885
US-20110195844-A1 PROCESS FOR SOLUBILIZING HYDROPHOBIC ACTIVE INGREDIENTS IN AQUEOUS MEDIUM IDUA, PHOSPHO1, HDHD5 MAPK1 477/4885KMT2A 1567/4885GAA 316/4885
US-20090149455-A1 Use of Triazolopyrimidines for Controlling Plant Diseases on Legumes TYMP, CCNT2, PNPO MAPK1 1694/4885KMT2A 1970/4885GAA 638/4885

“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.