SCHEMBL792857

SCHEMBL792857

Cc1ccc2c(C3CCCCC3)c(Br)n(CCN)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TP53 P04637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.35
CHEK1 O14757 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.34
HTR1D P28221 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL792724 0.88 CNR2 (0.37) TP53KDM4ELMNACYP1A2ALOX12
SCHEMBL792856 0.81 CNR2 (0.36) TP53KDM4ECNR2CNR1PTGDR2
SCHEMBL10283559 0.81 HDAC1 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL792898 0.81 TP53 (0.39) TP53KDM4ECNR2CNR1PTGDR2
SCHEMBL773119 0.80 JAK2 (0.42) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL792427 0.80 CNR2 (0.41) TP53KDM4ELMNATDP1CNR2
SCHEMBL792858 0.80 KMT2A (0.39) LMNAMAPK1TDP1RAB9A
SCHEMBL792722 0.80 KDM4C (0.40) CNR2CNR1NPC1RAB9A
SCHEMBL13006921 0.80 CNR1 (0.33) KDM4ECNR2CNR1HTR1DNPC1
SCHEMBL792659 0.79 L3MBTL1 (0.47) TP53LMNAMAPK1SMN1; SMN2TDP1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 JAK2 14/4885JAK1 174/4885TYK2 2168/4885

“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.