SCHEMBL6029324

SCHEMBL6029324

FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)cnn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.64
CHEK1 O14757 1/20 0.64
CCNA2 P20248 1/20 0.64
CCNA1 P78396 1/20 0.64
HPGD P15428 6/20 0.64
KDM4E B2RXH2 6/20 0.64
MAPT P10636 5/20 0.64
HSD17B10 Q99714 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 2/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
TSHR P16473 3/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
TP53 P04637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL1348276 0.88 KDM4E (0.53) CDK2CHEK1CCNA2CCNA1HPGD
SCHEMBL31351822 0.86 KDM4E (0.68) CDK2CHEK1CCNA2CCNA1HPGD
SCHEMBL22680482 0.83 MAPT (0.71) HPGDKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL6030690 0.83 KDM4E (0.64) HPGDKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL31351807 0.83 MAPT (0.70) HPGDKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL31351818 0.83 KDM4E (0.52) CDK2CHEK1CCNA2CCNA1HPGD
SCHEMBL31351812 0.83 MAPT (0.70) HPGDKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL31351816 0.81 HPGD (0.56) HPGDKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL3283135 0.81 KDM4E (0.84) HPGDKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL1009507 0.80 CSNK2A1 (0.67) CDK2HPGDKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 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 (1 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 CDK2 2144/4885CHEK1 4625/4885CCNA2 4270/4885

“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.