SCHEMBL17840596

SCHEMBL17840596

CC(=O)Nc1cc(C#Cc2ncc(C)cc2NC(=O)C(F)(F)F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 13/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MAPK14 Q16539 3/20 0.35
TGFBR1 P36897 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
SCHEMBL17863795 0.90 PIK3C3 (0.49) PIK3C3L3MBTL1TGFBR1
SCHEMBL17840786 0.89 PIK3C3 (0.38) PIK3C3L3MBTL1MAPK14TGFBR1
SCHEMBL17840555 0.88 PIK3C3 (0.38) PIK3C3L3MBTL1MAPK14
SCHEMBL17840748 0.88 PTK2 (0.40) PIK3C3L3MBTL1MAPK14TGFBR1
SCHEMBL17840843 0.87 KDR (0.39) PIK3C3MAPK14TGFBR1
SCHEMBL25248027 0.85 PIK3C3 (0.39) PIK3C3L3MBTL1MAPK14
SCHEMBL30365755 0.85 PIK3C3 (0.39) PIK3C3L3MBTL1MAPK14
SCHEMBL17840796 0.85 L3MBTL1 (0.40) PIK3C3L3MBTL1LMNAMAPK14TGFBR1
SCHEMBL30365566 0.85 L3MBTL1 (0.40) PIK3C3L3MBTL1LMNAMAPK14TGFBR1
SCHEMBL25246220 0.83 GRM5 (0.40) PIK3C3L3MBTL1LMNAMAPK14TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 EP disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP disclosed
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

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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 PIK3C3 1806/4885L3MBTL1 4701/4885LMNA 2707/4885
US-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 PIK3C3 2608/4885L3MBTL1 903/4885LMNA 1672/4885

“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.