SCHEMBL25875949

SCHEMBL25875949

CCn1ncc2c(C)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL25876283 0.87 PDE1A (0.44) ADORA2AALDH1A1SMN1; SMN2PDE2A
SCHEMBL2189832 0.84 ADORA3 (0.43) ADORA3ADORA2AADORA1MAPTTSHR
SCHEMBL25876223 0.83 PDE2A (0.40) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL31051052 0.81 ADORA3 (0.41) ADORA3ADORA2AADORA1MAPTTSHR
SCHEMBL25875979 0.81 PDE2A (0.35) PDE2A
SCHEMBL25876313 0.81 CYP17A1 (0.43) ALDH1A1LMNACYP1A2SMN1; SMN2PDE2A
SCHEMBL25876067 0.80 PDE1A (0.41) ADORA2AADORA1ALDH1A1KMT2APDE2A
SCHEMBL26534180 0.79 XDH (0.43) ADORA3ADORA2AADORA1MAPTTSHR
SCHEMBL24157327 0.79 ADORA3 (0.42) ADORA3ADORA2AADORA1MAPTTSHR
SCHEMBL24393156 0.77 PDE2A (0.62) MAPTNPSR1MEN1ALDH1A1CYP1A2

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 ADORA3 2008/4885ADORA2A 2540/4885ADORA1 2370/4885

“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.