SCHEMBL9941826

SCHEMBL9941826

CCN1CCC(c2cc(-c3ccc(NC(=O)c4cocn4)cc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
FLT3 P36888 6/20 0.33
AURKA O14965 3/20 0.33
KDR P35968 2/20 0.33
MAPT P10636 4/20 0.33
CSF1R P07333 3/20 0.32
KIT P10721 2/20 0.31
GAA P10253 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
F2R P25116 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL10325146 0.89 PRMT5 (0.37) PRMT5WDR77FLT3AURKAKDR
SCHEMBL10325287 0.88 NAMPT (0.34) FLT3AURKAKDRMAPTKIT
SCHEMBL10325083 0.88 NPC1 (0.39) FLT3AURKAKDRMAPTCSF1R
SCHEMBL16203336 0.87 MAPT (0.33) FLT3AURKAKDRMAPTCSF1R
SCHEMBL10325080 0.86 MAPT (0.33) FLT3AURKAMAPTCSF1RKIT
SCHEMBL9975722 0.86 GAA (0.41) FLT3AURKAMAPTGAAALDH1A1
SCHEMBL10323907 0.86 KCNH2 (0.36) FLT3AURKAKDRMAPTGAA
SCHEMBL9975763 0.86 AXL (0.41) FLT3AURKAKDRMAPTGAA
SCHEMBL9975652 0.86 KIT (0.37) MAPTKITGAAKDM4EALDH1A1
SCHEMBL9975900 0.85 CD274 (0.34) FLT3AURKAKDRMAPTKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
EP-2651906-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE Cocrystal Discovery, Inc. (US) 2013-10-23 EP disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (2 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E PRMT5 2599/4885WDR77 2720/4885FLT3 1430/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E PRMT5 2599/4885WDR77 2720/4885FLT3 1430/4885

“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.