SCHEMBL25458385

SCHEMBL25458385

Cn1cc(-c2nc(N[C@@H]3CCC[C@@H]3O)cc(-c3ccc(Cl)cc3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 10/20 0.49
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
CHRM1 P11229 1/20 0.39
CNR1 P21554 3/20 0.39
IDH1 O75874 1/20 0.38

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
SCHEMBL25459484 0.79 ADORA3 (0.48) ADORA3CNR1
SCHEMBL28895089 0.78 KMT2A (0.48) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL28895091 0.78 KMT2A (0.48) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL30085581 0.78 KMT2A (0.48) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL30085837 0.74 FGFR3 (0.48) NPC1ADORA3CNR1
SCHEMBL25458392 0.74 FGFR3 (0.48) NPC1ADORA3CNR1
SCHEMBL25458389 0.73 KDR (0.50) MEN1NPC1MAPTKMT2AADORA3
SCHEMBL30085870 0.73 KDR (0.50) MEN1NPC1MAPTKMT2AADORA3
SCHEMBL30085442 0.72 LRRK2 (0.48) IRAK1KDM4EIRAK4
SCHEMBL28894975 0.72 LRRK2 (0.48) IRAK1KDM4EIRAK4

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-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 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 (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-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 IRAK1 562/4885KDM4E 1188/4885MEN1 4872/4885

“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.