SCHEMBL17840704

SCHEMBL17840704

CCOC(=O)c1cc(Br)nc(Br)c1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
IKBKB O14920 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.43
ACHE P22303 2/20 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
SCHEMBL17840873 0.85 KDM4E (0.44) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL30641332 0.85 KDM4E (0.44) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL38664397 0.84 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31264183 0.82 KDM4E (0.46) KDM4EHSD17B10ALDH1A1GAATSHR
SCHEMBL143872 0.82 KDM4E (0.46) KDM4EHSD17B10ALDH1A1GAATSHR
SCHEMBL38661331 0.80 CYP4F2 (0.44) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL24746841 0.75 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2426450 0.75 KDM4E (0.59) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL535621 0.74 KDM4E (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12326380 0.74 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237415-A1 TGF RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2017-11-01 EP disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US 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 (1 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-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 KDM4E 2283/4885HSD17B10 3251/4885ALDH1A1 2963/4885

“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.