SCHEMBL9910028

SCHEMBL9910028

Cc1ccc(C2(c3nc(-c4c(C)nc5ccccn45)cs3)CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
LMNA P02545 5/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 5/20 0.55
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ALOX12 P18054 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NR2F2 P24468 1/20 0.49
CDK2 P24941 6/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL2701022 0.88 CDK2 (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL3356335 0.86 CDK2 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2701027 0.86 CDK2 (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2698271 0.84 CDK2 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL197109 0.82 CDK2 (0.47) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2699573 0.81 CDK2 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2699595 0.81 CDK2 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL197274 0.81 HDAC1 (0.54) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2700101 0.80 CDK2 (0.43) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL197443 0.79 CDK2 (0.44) KDM4EALDH1A1LMNAMAPTHPGD

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 181/4885ALDH1A1 957/4885LMNA 1594/4885

“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.