SCHEMBL4784866

SCHEMBL4784866

Cc1cc(-c2nc(Cl)c3sccc3n2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
POLB P06746 1/20 0.36
ADORA1 P30542 10/20 0.35
ADORA2A P29274 7/20 0.35
CTSA P10619 1/20 0.33
TGFBR1 P36897 1/20 0.32
ADORA3 P0DMS8 4/20 0.32
RIPK1 Q13546 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL4784650 0.85 CTSA (0.34) POLBADORA1ADORA2ACTSATGFBR1
SCHEMBL8267148 0.83 HTT (0.36) ADORA1ADORA2ACTSATGFBR1ADORA3
SCHEMBL8381196 0.80 PDE4A (0.36) POLBADORA1ADORA2ACTSAADORA3
SCHEMBL7922066 0.80 RIPK1 (0.31) CTSARIPK1RIPK3CYP1A2CYP3A4
SCHEMBL14104139 0.70 RAB9A (0.50) AXLMKNK1MKNK2POLBADORA1
SCHEMBL2408413 0.70 TGFBR1 (0.60) AXLMKNK1MKNK2POLBADORA1
SCHEMBL14103869 0.69 RAB9A (0.47) AXLMKNK1MKNK2POLBKDM4E
SCHEMBL1367259 0.68 AXL (0.52) AXLMKNK1MKNK2POLBADORA1
SCHEMBL14842277 0.67 AXL (0.37) AXLMKNK1MKNK2POLBADORA1
SCHEMBL4744102 0.66 PDE4A (0.56) AXLMKNK1MKNK2ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 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 (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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 AXL 4125/4885MKNK1 2359/4885MKNK2 2861/4885

“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.