SCHEMBL17840559

SCHEMBL17840559

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 2/20 0.33
MAOA P21397 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CFTR P13569 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL535621 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL31264183 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CFTR
SCHEMBL17840704 0.76 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL25082752 0.69 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1HTTKMT2A
SCHEMBL30884740 0.69 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1HTTKMT2A
SCHEMBL31320527 0.69 NSD1 (0.33) HTR6
SCHEMBL21261372 0.69 TDP1 (0.40) SMN1; SMN2ALDH1A1TP53HTR6
SCHEMBL31552442 0.68 MAOB (0.45) SMN1; SMN2MAOBMAOAKDM4EALDH1A1
SCHEMBL20075810 0.68 HTT (0.38) ALDH1A1HTTHTR6
SCHEMBL25361675 0.68 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A

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 SMN1; SMN2 2814/4885MAOB 4465/4885MAOA 4626/4885

“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.