SCHEMBL2970067

SCHEMBL2970067

COc1c(Br)cc(C(=O)O)c(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.70
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
TPMT P51580 1/20 0.53
GPR35 Q9HC97 1/20 0.53
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.43
APOBEC3A P31941 1/20 0.43
HTT P42858 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 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
SCHEMBL27851655 0.86 HSD17B10 (0.62) HSD17B10LCKFYNTPMTGPR35
SCHEMBL27820154 0.85 HSD17B10 (0.61) HSD17B10LCKFYNTPMTGPR35
SCHEMBL28799138 0.85 HSD17B10 (0.61) HSD17B10LCKFYNTPMTGPR35
SCHEMBL14126304 0.83 HSD17B10 (0.59) HSD17B10LCKFYNTPMTGPR35
SCHEMBL7813490 0.82 HSD17B10 (1.00) HSD17B10LCKFYNTPMTGPR35
SCHEMBL3709174 0.82 HSD17B10 (0.49) HSD17B10LCKFYNTPMTCA2
SCHEMBL5243236 0.82 HSD17B10 (0.73) HSD17B10LCKFYNTPMTGPR35
SCHEMBL20380165 0.81 HSD17B10 (0.61) HSD17B10LCKFYNTPMTGPR35
SCHEMBL7813116 0.81 HSD17B10 (0.71) HSD17B10LCKFYNTPMTGPR35
SCHEMBL6215179 0.80 HSD17B10 (0.55) HSD17B10LCKFYNTPMTGPR35

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
CN-102516219-B Halogenated polyhydroxy xanthene derivatives, preparation method and use thereof UNIV SHENYANG PHARMACEUTICAL 2014-12-03 CN disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (3 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 HSD17B10 1472/4885LCK 108/4885FYN 219/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 HSD17B10 1472/4885LCK 108/4885FYN 219/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 HSD17B10 2789/4885LCK 106/4885FYN 213/4885

“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.