SCHEMBL4643760

SCHEMBL4643760

CCc1nc(Cl)cc(-c2ccccc2OC)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.65
HSP90AB1 P08238 4/20 0.65
ADORA3 P0DMS8 4/20 0.45
ADORA1 P30542 2/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
METAP2 P50579 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL21058542 0.81 HSP90AA1 (0.72) HSP90AA1HSP90AB1ADORA3ADORA1ALDH1A1
SCHEMBL4643488 0.79 ADORA3 (0.51) HSP90AA1HSP90AB1ADORA3ADORA1ALDH1A1
SCHEMBL3718236 0.79 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADORA1KDM4E
SCHEMBL24122900 0.75 HSP90AA1 (0.62) HSP90AA1HSP90AB1ADORA3ALDH1A1KDM4E
SCHEMBL10646200 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1ADORA3ADORA1ALDH1A1
SCHEMBL5918453 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1ADORA3ALDH1A1KDM4E
SCHEMBL31047268 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1ADORA3ALDH1A1KDM4E
SCHEMBL3101944 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1ADORA3ADORA1ALDH1A1
SCHEMBL1850151 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1KDM4EALOX15
SCHEMBL4490553 0.71 HSP90AA1 (0.58) HSP90AA1HSP90AB1ADORA3ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 US disclosed
US-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 US disclosed
US-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 US disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 US disclosed
EP-1957469-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES Laboratoires Serono SA (CH) 2008-08-20 EP disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 WO disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 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-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones TYMP, DHFR, DPYD HSP90AA1 1828/4885HSP90AB1 2056/4885ADORA3 581/4885
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES TYMP, DHFR, DPYD HSP90AA1 1828/4885HSP90AB1 2056/4885ADORA3 581/4885

“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.