SCHEMBL17840545

SCHEMBL17840545

CC(=O)Nc1cc(C#Cc2nccc(C(C)F)c2N)ccn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 8/20 0.40
AAK1 Q2M2I8 6/20 0.39
ACACB O00763 4/20 0.38
CSNK1D P48730 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP3A4 P08684 4/20 0.37

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
SCHEMBL17840590 0.92 AAK1 (0.41) PIK3C3AAK1ACACBCSNK1DMAPK14
SCHEMBL17840620 0.90 PIK3C3 (0.40) PIK3C3AAK1ACACBCSNK1DMAPK14
SCHEMBL17840674 0.82 PIK3C3 (0.41) PIK3C3AAK1CYP3A4
SCHEMBL17840655 0.82 AAK1 (0.38) PIK3C3AAK1ACACBCSNK1DMAPK14
SCHEMBL30365681 0.81 TYK2 (0.45) PIK3C3AAK1CYP3A4
SCHEMBL17840576 0.81 TYK2 (0.45) PIK3C3AAK1CYP3A4
SCHEMBL25261842 0.81 AAK1 (0.43) PIK3C3AAK1ACACBCYP3A4
SCHEMBL30365810 0.81 AAK1 (0.43) PIK3C3AAK1ACACBCYP3A4
SCHEMBL17840896 0.80 AAK1 (0.43) PIK3C3AAK1ACACBCYP3A4
SCHEMBL17840536 0.79 PIK3C3 (0.44) PIK3C3AAK1

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 2608/4885AAK1 2658/4885ACACB 2045/4885

“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.