SCHEMBL12724345

SCHEMBL12724345

CCn1cc(F)c(N)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 6/20 0.43
ALB P02768 1/20 0.39
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
P2RX7 Q99572 2/20 0.33
DCK P27707 4/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLG P54098 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL8993091 0.82 EP300 (0.47) EP300TLR8
SCHEMBL19242440 0.82 EP300 (0.44) EP300ALBP2RX7DCKPOLG
SCHEMBL28189199 0.81 ALB (0.45) EP300ALBP2RX7DCKPOLG
SCHEMBL12741854 0.81 RPS6KB1 (0.39) EP300ALBADORA2AALDH1A1
SCHEMBL12741862 0.81 EP300 (0.41) EP300ALBP2RX7DCKPOLG
SCHEMBL5201162 0.79 CDK1 (0.35) EP300CDK1CCNB1CCNE1CDK2
SCHEMBL11718699 0.79 EP300 (0.43) EP300CDK1CCNB1CCNE1CDK2
SCHEMBL12741859 0.79 EP300 (0.45) EP300ALBADORA2A
SCHEMBL14612879 0.79 EP300 (0.40) EP300ALBP2RX7TLR8
SCHEMBL13195153 0.79 ALB (0.37) EP300ALBDCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20190290670-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS IDENIX PHARMACEUTICALS LLC (US) 2019-09-26 US disclosed
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2017-01-12 US disclosed
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2017-01-12 US disclosed
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-04-23 US disclosed
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-04-23 US disclosed
US-8916579-B2 5-fluoropyrimidinone derivatives DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-8916579-B2 5-fluoropyrimidinone derivatives DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 US disclosed
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-03-03 US 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 (6 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-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 EP300 492/4885ALB 4486/4885CDK1 428/4885
US-20190290670-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL EP300 1865/4885ALB 216/4885CDK1 3192/4885
US-20170008855-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 EP300 4722/4885ALB 4756/4885CDK1 2580/4885
US-20150111851-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 EP300 4722/4885ALB 4756/4885CDK1 2580/4885
US-20110053891-A1 5-FLUOROPYRIMIDINONE DERIVATIVES DDT, CASP5, CYP3A5 EP300 4722/4885ALB 4756/4885CDK1 2580/4885
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR EP300 4687/4885ALB 4861/4885CDK1 1040/4885

“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.