SCHEMBL23747262

SCHEMBL23747262

c1cc2cnc(-c3ccc4ncsc4c3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
RIPK1 Q13546 1/20 0.43
TGFBR1 P36897 8/20 0.42
BMPR1A P36894 1/20 0.42
SMAD2 Q15796 1/20 0.42
APP P05067 1/20 0.40
PFKFB3 Q16875 6/20 0.40
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VRK1 Q99986 1/20 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
SCHEMBL4143115 0.76 GPR84 (0.41) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL4137823 0.76 GPR84 (0.41) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL30774560 0.73 BRD4 (0.46) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL31214345 0.73 DYRK1A (0.72) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL13394547 0.70 NPC1 (0.50) DYRK1ATGFBR1APPNPC1
SCHEMBL2461409 0.69 DYRK1A (0.50) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL2457852 0.69 PFKFB3 (0.55) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL2457178 0.69 DYRK1A (0.54) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL2458769 0.68 RIPK1 (0.50) DYRK1ARIPK1TGFBR1BMPR1ASMAD2
SCHEMBL21871435 0.68 DYRK1A (0.49) DYRK1ARIPK1TGFBR1BMPR1ASMAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 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-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 DYRK1A 4838/4885RIPK1 1817/4885TGFBR1 4825/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 DYRK1A 4847/4885RIPK1 1529/4885TGFBR1 4819/4885

“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.