SCHEMBL1900982

SCHEMBL1900982

[c]1n[nH]c(C2CC2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 2/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
GRM5 P41594 1/20 0.35
FYN P06241 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
AURKA O14965 1/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1899360 0.93 KDM4E (0.35) HPGDSKDM4EDRD2DRD4DRD3
SCHEMBL1386378 0.71 KDM4E (0.41) KDM4EALDH1A1MAPTCDK2AURKA
SCHEMBL5449727 0.69 CYP1A2 (0.34) KDM4EALDH1A1RAB9AGAAHPGD
SCHEMBL5441989 0.69 MAP2K4 (0.33) KDM4EALDH1A1RAB9AGAAHPGD
SCHEMBL624396 0.69 AKT2 (0.42) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL1902682 0.66 HPGD (0.34) KDM4EGRM5ALDH1A1NISCHHPGD
SCHEMBL1898427 0.66 KDM4E (0.35) KDM4EGRM5ALDH1A1MAPTGAA
SCHEMBL1900678 0.66 TP53 (0.37) KDM4EALDH1A1MAPTRAB9AHPGD
SCHEMBL558507 0.66 ALDH1A1 (0.37) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL2374865 0.63 DRD2 (0.47) KDM4EDRD2DRD4DRD3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 HPGDS 1739/4885KDM4E 1778/4885DRD2 2605/4885

“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.