SCHEMBL974128

SCHEMBL974128

CCCCc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 3/20 0.35
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.32
MBOAT4 Q96T53 3/20 0.32

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
SCHEMBL4810488 0.88 ALDH1A1 (0.38) ATMALDH1A1KMT2APOLBTSHR
SCHEMBL977940 0.87 ATM (0.41) ATMALDH1A1KMT2APOLBTSHR
SCHEMBL977053 0.85 ALDH1A1 (0.37) ALDH1A1KMT2APOLBTSHRGAA
SCHEMBL6997181 0.83 ALDH1A1 (0.38) ATMALDH1A1KMT2APOLBTSHR
SCHEMBL7957007 0.83 ATM (0.48) ATMALDH1A1KMT2APOLBTSHR
SCHEMBL5096856 0.83 ALDH1A1 (0.38) ALDH1A1KMT2APOLBTSHRGAA
SCHEMBL977035 0.81 ALDH1A1 (0.36) ATMALDH1A1KMT2APOLBTSHR
SCHEMBL6991515 0.81 ALDH1A1 (0.38) ATMALDH1A1KMT2APOLBTSHR
SCHEMBL3276173 0.81 ALDH1A1 (0.39) ALDH1A1KMT2APOLBTSHRGAA
SCHEMBL4814229 0.80 ALDH1A1 (0.38) ATMALDH1A1KMT2APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO 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
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
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 WO disclosed
WO-2006000592-A1 USE OF ETHER GROUP-CONTAINING POLYMERS AS SOLUBILIZERS BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 WO disclosed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 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 (2 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 ATM 1227/4885ALDH1A1 2231/4885KMT2A 2012/4885
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER NOS1, NOS3, NPSR1 ATM 1793/4885ALDH1A1 2770/4885KMT2A 3704/4885

“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.