SCHEMBL2862684

SCHEMBL2862684

CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1CC(=O)N1CCN(c2ccccc2C#N)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.36
DRD4 P21917 4/20 0.35
DRD2 P14416 3/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DRD3 P35462 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
AR P10275 1/20 0.33
DPP4 P27487 2/20 0.33
THRB P10828 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27655750 0.81 GRM1 (0.38) DRD4DRD2HTR1AHTR1DHTR1B
SCHEMBL2859399 0.80 P2RX7 (0.39) P2RX7ALDH1A1CYP3A4LMNA
SCHEMBL2859146 0.79 MAPT (0.47) DRD2HTR1AHTR1DHTR1BKDM4E
SCHEMBL2863214 0.78 ALDH1A1 (0.41) KDM4EALDH1A1CYP3A4LMNA
SCHEMBL2866616 0.72 MAPT (0.43) P2RX7KDM4EALDH1A1LMNA
SCHEMBL20139861 0.72 P2RX7 (0.47) P2RX7DRD4DRD2ALDH1A1DRD3
SCHEMBL13197677 0.71 NOTUM (0.47) P2RX7ALDH1A1LMNANAMPT
SCHEMBL2859486 0.71 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL2869162 0.70 ME2 (0.53) KDM4EALDH1A1THRBLMNA
SCHEMBL2862917 0.69 HPGD (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP claimed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P P2RX7 1568/4885DRD4 4640/4885DRD2 4562/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P P2RX7 1568/4885DRD4 4640/4885DRD2 4562/4885

“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.