SCHEMBL2249284

SCHEMBL2249284

O=C(O)c1cc(Br)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL21826652 0.81 AKR1C4 (0.44) HSD17B10TSHRLCKFYNCA12
SCHEMBL21246826 0.81 CA1 (0.42) HSD17B10TSHRCA12CA1CA2
SCHEMBL8220004 0.81 KDM4E (0.60) HSD17B10TSHRLCKFYNCA12
SCHEMBL22807058 0.79 GABRP (0.47) HSD17B10TSHRLCKFYNKDM4E
SCHEMBL1998749 0.79 NAPRT (0.42) HSD17B10TSHRLCKFYNCA12
SCHEMBL22717759 0.79 KDM4E (0.44) HSD17B10TSHRLCKFYNCA12
SCHEMBL4790109 0.79 GABRP (0.56) HSD17B10TSHRLCKFYNCA12
SCHEMBL19278516 0.79 KDM4E (0.36) HSD17B10TSHRLCKFYNCA12
SCHEMBL14901955 0.79 HSD17B10 (0.44) HSD17B10TSHRLCKFYNCA12
SCHEMBL5710659 0.79 ALDH1A1 (0.44) TSHRCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888247-B1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2020-03-25 EP disclosed
CN-105143200-B Serine/threonine kinase inhibitor for treating excess proliferative disease 阵列生物制药公司 2018-10-16 CN disclosed
WO-2018019758-A1 HERBICIDAL PYRIDINE COMPOUNDS BASF SE (DE) 2018-02-01 WO disclosed
US-9388171-B2 Serine/threonine kinase inhibitors GENETECH, INC. (US) 2016-07-12 US disclosed
CN-105143200-A Serine/threonine kinase inhibitors for the treatment of hyperproliferative|diseases ARRAY BIOPHARMA INC 2015-12-09 CN disclosed
CN-102272103-B ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-21 CN disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 EP disclosed
EP-2350010-B1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
EP-2350010-B1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 WO disclosed
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-06 US disclosed
US-8592457-B2 Isonicotinamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20110201591-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-18 US disclosed
US-20110201591-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-18 US disclosed
US-20110201591-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-08-18 US disclosed
EP-2350010-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010051236-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051236-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 HSD17B10 2962/4885TSHR 2085/4885LCK 165/4885
US-20110201591-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HSD17B10 2672/4885TSHR 205/4885LCK 1987/4885

“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.