SCHEMBL2405934

SCHEMBL2405934

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1-c1cc2ncccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EGFR P00533 2/20 0.34
SNCA P37840 1/20 0.34
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
CYP1A1 P04798 3/20 0.32
CYP1B1 Q16678 3/20 0.32
CYP1A2 P05177 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 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
SCHEMBL1458752 0.80 LIPG (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30957391 0.80 CSF1R (0.40) CSF1RPDGFRBEGFRSNCALPL
SCHEMBL12318600 0.78 F2RL3 (0.41) PDGFRBPDGFRACHRM2CHRM4CHRM5
SCHEMBL27263274 0.72 LIPG (0.57) CSF1RPDGFRBSNCALPLLIPG
SCHEMBL18113846 0.71 CHRNB2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26556057 0.71 SYK (0.51) CSF1RPDGFRBPDGFRAEGFRSNCA
SCHEMBL28693877 0.71 CSF1R (0.40) CSF1RPDGFRBPDGFRAEGFRSNCA
SCHEMBL1817600 0.71 EGFR (0.45) CSF1RPDGFRBPDGFRAEGFRSNCA
SCHEMBL31034774 0.70 EGFR (0.43) CSF1RPDGFRBPDGFRAEGFRSYK
SCHEMBL2424469 0.70 CSF1R (0.38) CSF1RSNCALPLLIPGNPC1

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
EP-2542545-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT CSF1R 3450/4885PDGFRB 2084/4885PDGFRA 2791/4885

“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.