SCHEMBL17243648

SCHEMBL17243648

CCCn1ccc2cnc3ccsc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
PDE7A Q13946 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32
PDE5A O76074 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
NMT1 P30419 1/20 0.32

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
SCHEMBL17243646 0.88 PDE7A (0.36) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL17243647 0.80 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL25258664 0.69 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL31270557 0.69 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL28900443 0.67 ALDH1A1 (0.43) L3MBTL1MEN1KMT2APIK3CDJAK1
SCHEMBL30598861 0.67 ALDH1A1 (0.43) L3MBTL1MEN1KMT2APIK3CDJAK1
SCHEMBL12443739 0.66 HTR1A (0.35) GRM2HTR1AHTR2C
SCHEMBL8570253 0.65 AXL (0.45) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL7541745 0.65 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL20101423 0.64 CDK4 (0.33) PDE4BPDE7AL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148460-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2018-05-31 US disclosed
US-9908895-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-9777017-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-10-03 US disclosed
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2016-01-28 US disclosed
US-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2016-01-21 US disclosed
US-9181271-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-10 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 (3 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-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 TLR7 1111/4885ADORA2A 4025/4885ADORA1 4689/4885
US-20180148460-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 TLR7 1111/4885ADORA2A 4025/4885ADORA1 4689/4885
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 TLR7 1111/4885ADORA2A 4025/4885ADORA1 4689/4885

“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.