SCHEMBL25874009

SCHEMBL25874009

CC(=O)N1Cc2nc(C)nc(NCc3nccs3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HCRTR2 O43614 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KHK P50053 1/20 0.33
CCR5 P51681 1/20 0.33
SYK P43405 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
CYP1A2 P05177 2/20 0.32
CHRM4 P08173 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
KCNH2 Q12809 2/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 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
SCHEMBL20119848 0.88 TSHR (0.39) TSHRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL20119947 0.75 MTOR (0.36) CYP3A4HRH4HCRTR2
SCHEMBL20618233 0.67 NOTUM (0.36) ALDH1A1CYP1A2CHRM4KCNH2
SCHEMBL1188624 0.65 TRPM5 (0.37) TSHRCYP2C19HRH4ADORA3KHK
SCHEMBL8155144 0.65 TSHR (0.47) TSHRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL25874012 0.64 KHK (0.34) CYP3A4ALDH1A1HRH4KHKKLKB1
SCHEMBL27298682 0.64 HRH4 (0.39) TSHRCYP2D6CYP2C19ALDH1A1HRH4
SCHEMBL2070480 0.62 NPSR1 (0.46) TSHRCYP2C19ALDH1A1CHRM4
SCHEMBL25874026 0.61 KHK (0.36) HRH4KHKKLKB1KLK1TLR7
SCHEMBL2936249 0.61 KDM4E (0.46) CYP2C19ALDH1A1CHRM4

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-20230279007-A1 Compounds for Improving mRNA Splicing THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-09-07 US disclosed
US-11702417-B2 Compounds for improving mRNA splicing THE GENERAL HOSPITAL CORPORATION (US) 2023-07-18 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-20230279007-A1 Compounds for Improving mRNA Splicing RTCB, RBM17, HNRNPA2B1 TSHR 4371/4885CYP3A4 4281/4885CYP2D6 3804/4885
US-11702417-B2 Compounds for improving mRNA splicing RTCB, RBM17, HNRNPA2B1 TSHR 4371/4885CYP3A4 4281/4885CYP2D6 3804/4885

“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.