SCHEMBL25097481

SCHEMBL25097481

CC(C)(C)c1ccn2nc(F)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.35
AHR P35869 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CG P48736 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PAK4 O96013 1/20 0.32
JAK1 P23458 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
CSNK1A1 P48729 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL24783566 0.81 ALDH1A1 (0.34) KCNH2PDE10AAHRADORA3PIK3CD
SCHEMBL25097480 0.80 PDE10A (0.39) KCNH2PDE10AAHRADORA3PIK3CD
SCHEMBL26505473 0.79 PIK3CG (0.47) PIK3CDPIK3CGPAK4JAK1PIK3CA
SCHEMBL26505465 0.77 PIK3CG (0.35) PDE10AAHRADORA3PIK3CDPIK3CG
SCHEMBL25825583 0.77 PDE10A (0.32) KCNH2PDE10AAHRADORA3PIK3CD
SCHEMBL26505463 0.71 PIK3CG (0.47) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL6371587 0.68 PIK3CD (0.36) ADORA3PIK3CDALDH1A1HPGDKDM4E
SCHEMBL18120344 0.68 KCNH2 (0.35) KCNH2ALDH1A1MAPTHPGDGAA
SCHEMBL20043180 0.67 KDM4E (0.46) PDE10AAHRPIK3CDPIK3CGPAK4
SCHEMBL26847126 0.67 JAK2 (0.47) PIK3CDPIK3CGJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 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 (1 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-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KCNH2 2608/4885PDE10A 997/4885AHR 3903/4885

“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.