SCHEMBL1899360

SCHEMBL1899360

[c]1n[nH]c(C2CCC2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPY5R Q15761 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL1900982 0.93 HPGDS (0.37) KDM4EDRD2DRD4DRD3CDK2
SCHEMBL1386378 0.69 KDM4E (0.41) KDM4ECDK2ALDH1A1MAPK1
SCHEMBL624396 0.67 AKT2 (0.42) KDM4EL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL5449727 0.67 CYP1A2 (0.34) KDM4EPOLBL3MBTL1ALDH1A1MEN1
SCHEMBL5441989 0.67 MAP2K4 (0.33) KDM4EPOLBL3MBTL1ALDH1A1MEN1
SCHEMBL1902682 0.63 HPGD (0.34) KDM4EL3MBTL1ADORA3ADORA1ALDH1A1
SCHEMBL1900678 0.63 TP53 (0.37) KDM4EPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL1898427 0.63 KDM4E (0.35) KDM4EL3MBTL1ADORA3ADORA1ALDH1A1
SCHEMBL558507 0.63 ALDH1A1 (0.37) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL3348457 0.62 ADORA1 (0.42) POLBCASP3SENP7SENP6NPY5R

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 KDM4E 1778/4885DRD2 2605/4885DRD4 3304/4885

“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.