SCHEMBL2862955

SCHEMBL2862955

COc1[c]c(OC)c(C#N)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCZ Q05513 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 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
SCHEMBL744322 0.74 ACHE (0.44) KDM4EMAPTGAAALDH1A1CYP1A2
SCHEMBL2302753 0.72 ACHE (0.38) MAPTCYP3A4KMT2A
SCHEMBL2828160 0.71 GAA (0.32) KDM4EMAPTGAAALDH1A1MAPK1
SCHEMBL28412483 0.68 PKM (0.43) KDM4EMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1715885 0.67 GPR35 (0.41) KDM4EALDH1A1USP2KMT2AHPGDS
SCHEMBL2547123 0.67 ALDH1A1 (0.50) KDM4EMAPTLMNACYP2C9ALDH1A1
SCHEMBL31432665 0.67 AR (0.44) KDM4EMAPTLMNACYP2C9GAA
SCHEMBL9084973 0.67 ACHE (0.52) KDM4EMAPTLMNACYP2C9GAA
SCHEMBL24340392 0.66 KDM4E (0.42) KDM4EMAPTLMNACYP2C9GAA
SCHEMBL5238964 0.66 KDM4E (0.42) KDM4EMAPTLMNACYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543390-A1 Pharmaceutical composition Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP claimed
US-20100098690-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-22 US claimed
EP-2133094-A1 PHARMACEUTICAL COMPOSITION Kyowa Hakko Kirin Co., Ltd. (JP) 2009-12-16 EP claimed
US-20090042883-A1 ANTITUMOR AGENT KYOWA HAKKOKOGYO CO. (JP) 2009-02-12 US claimed
EP-1852112-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-07 EP claimed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US claimed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP claimed
EP-2543390-A1 Pharmaceutical composition Kyowa Hakko Kirin Co., Ltd. (JP) 2013-01-09 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20100104567-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-29 US disclosed
US-20100098690-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-22 US disclosed
EP-2133095-A1 PHARMACEUTICAL COMPOSITION Kyowa Hakko Kirin Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-2133094-A1 PHARMACEUTICAL COMPOSITION Kyowa Hakko Kirin Co., Ltd. (JP) 2009-12-16 EP 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-20090042883-A1 ANTITUMOR AGENT KYOWA HAKKOKOGYO CO. (JP) 2009-02-12 US disclosed
EP-1852112-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-07 EP 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 (5 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 KDM4E 2968/4885MAPT 1791/4885LMNA 4283/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885MAPT 1791/4885LMNA 4283/4885
US-20090042883-A1 ANTITUMOR AGENT MCL1, HDAC7, TP53 KDM4E 2024/4885MAPT 4878/4885LMNA 3169/4885
US-20100104567-A1 PHARMACEUTICAL COMPOSITION FLT4, FLT3, FLT1 KDM4E 907/4885MAPT 2970/4885LMNA 4253/4885
US-20100098690-A1 PHARMACEUTICAL COMPOSITION HSP90B1, HSP90AB1, HSP90AB2P KDM4E 3110/4885MAPT 1634/4885LMNA 4159/4885

“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.