SCHEMBL6449864

SCHEMBL6449864

FC(F)(F)c1ccncc1-c1n[nH]c(-c2cccc3ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
KDM4E B2RXH2 2/20 0.39
DHODH Q02127 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2D6 P10635 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KDR P35968 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6450108 0.85 DCUN1D1 (0.46) CYP1A2CYP3A4CYP2C19DHODHCYP11B1
SCHEMBL6456566 0.84 NR1H2 (0.53) CYP1A2CYP3A4CYP2C19KDM4EDHODH
SCHEMBL6448860 0.84 SMN1; SMN2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6KDR
SCHEMBL6454714 0.84 ADORA2A (0.53) CYP1A2CYP3A4CYP2C19DHODHCYP2D6
SCHEMBL6451601 0.84 DHODH (0.39) CYP1A2CYP3A4CYP2C19KDM4EDHODH
SCHEMBL6454617 0.80 JAK2 (0.40) DHODHCYP11B1CYP11B2KDRSLC22A12
SCHEMBL6453583 0.79 JAK2 (0.58) CYP1A2CYP3A4CYP2C19CYP11B2CYP2D6
SCHEMBL3199930 0.79 L3MBTL1 (0.58) KDM4EDHODHALOX15KDRALDH1A1
SCHEMBL6454404 0.78 KDR (0.39) CYP1A2CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL6450295 0.78 KDM4E (0.41) KDM4EALOX15SLC22A12MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC CYP1A2 47/4885CYP3A4 31/4885CYP2C19 236/4885

“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.