SCHEMBL975954

SCHEMBL975954

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.33
PDE2A O00408 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL79687 0.91 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3608660 0.91 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL29783525 0.91 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL14338819 0.90 MAPK1 (0.36) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL7831913 0.89 CRHR1 (0.36) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL976390 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL80486 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3117730 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL22637997 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL343322 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1

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-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO 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-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
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER BASF SE (DE) 2013-05-16 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
WO-2006087227-A2 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO disclosed
WO-2006015791-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2006-02-16 WO 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 (3 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 MAPK1 916/4885KMT2A 2012/4885MEN1 2807/4885
US-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT PFN1, DSTN, CHN2 MAPK1 3589/4885KMT2A 4413/4885MEN1 958/4885
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER NOS1, NOS3, NPSR1 MAPK1 2382/4885KMT2A 3704/4885MEN1 1633/4885

“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.