SCHEMBL17840662

SCHEMBL17840662

CC(=O)Nc1cc(-c2cc3nc(Cl)cc(C(=O)NC(CO)CO)c3[nH]2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 8/20 0.39
CYP3A4 P08684 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MAPK14 Q16539 8/20 0.36
GSK3B P49841 3/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
ULK1 O75385 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL17840578 0.87 PIK3C3 (0.50) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL17863750 0.85 PIK3C3 (0.45) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL17840818 0.85 KDM5A (0.46) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL17840719 0.83 PIK3C3 (0.43) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL17840715 0.81 TGFBR1 (0.40) PIK3C3CYP3A4AAK1MAPK14GSK3B
SCHEMBL17840714 0.77 TGFBR1 (0.45) PIK3C3TGFBR1TGFBR2
SCHEMBL17863751 0.77 TGFBR1 (0.47) PIK3C3CYP3A4AAK1TGFBR1TGFBR2
SCHEMBL25230583 0.76 PIK3C3 (0.48) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL30365606 0.76 PIK3C3 (0.48) PIK3C3MAPK14GSK3BTGFBR1TGFBR2
SCHEMBL17840904 0.75 TGFBR1 (0.57) PIK3C3CYP3A4AAK1TGFBR1TGFBR2

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 PIK3C3 2608/4885CYP3A4 4824/4885AAK1 2658/4885

“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.