SCHEMBL17840536

SCHEMBL17840536

CC(=O)Nc1cc(C#Cc2nccnc2N)ccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 17/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL17840742 0.84 JAK2 (0.41) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL17840674 0.84 PIK3C3 (0.41) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL17840576 0.83 TYK2 (0.45) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL30365681 0.83 TYK2 (0.45) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL17840896 0.82 AAK1 (0.43) PIK3C3L3MBTL1AAK1
SCHEMBL17840696 0.81 PIK3C3 (0.39) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL17840620 0.80 PIK3C3 (0.40) PIK3C3L3MBTL1AAK1
SCHEMBL17840590 0.80 AAK1 (0.41) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL17863796 0.80 PIK3C3 (0.42) PIK3C3L3MBTL1JAK2JAK1TYK2
SCHEMBL25214305 0.80 PIK3C3 (0.41) PIK3C3L3MBTL1

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 13 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
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 4701/4885JAK2 301/4885
US-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 PIK3C3 2608/4885L3MBTL1 903/4885JAK2 1309/4885

“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.