SCHEMBL197443

SCHEMBL197443

Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DYRK1A Q13627 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
PIM3 Q86V86 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL197109 0.94 CDK2 (0.47) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL3356335 0.92 CDK2 (0.46) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL2700101 0.91 CDK2 (0.43) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL2699682 0.91 CDK2 (0.43) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL196854 0.89 HDAC1 (0.52) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL2699595 0.88 CDK2 (0.46) CDK2PRKD3MAP4K4PIM1RPS6KB1
SCHEMBL196935 0.87 KCNH2 (0.40) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL197802 0.87 HDAC1 (0.39) GAAKCNH2HDAC1HDAC7HDAC8
SCHEMBL196886 0.86 KCNH2 (0.39) ALDH1A1GAAKMT2AKCNH2POLB
SCHEMBL197744 0.86 KCNH2 (0.38) KDM4ESMN1; SMN2KCNH2HDAC1HDAC7

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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 CDK2 213/4885PRKD3 2416/4885MAP4K4 1823/4885

“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.