SCHEMBL21565993

SCHEMBL21565993

Cc1cc(-c2cc3ccncc3[nH]2)ccc1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
CYP19A1 P11511 1/20 0.41
PIM1 P11309 1/20 0.40
HASPIN Q8TF76 1/20 0.40
GCGR P47871 4/20 0.39
MAPK14 Q16539 4/20 0.39
DAO P14920 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
BTK Q06187 1/20 0.37
WNT1 P04628 1/20 0.36
SLC2A1 P11166 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL21565988 0.82 CYP19A1 (0.50) DYRK1ACLK2CLK3CYP19A1PIM1
SCHEMBL27075650 0.82 CYP19A1 (0.53) DYRK1ACLK2CLK3CYP19A1PIM1
SCHEMBL21566048 0.79 CLK2 (0.52) DYRK1ACLK2CLK3CYP19A1GCGR
SCHEMBL21565983 0.75 DYRK1A (0.49) DYRK1ACLK2CLK3CYP19A1DAO
SCHEMBL21565998 0.75 CLK2 (0.44) DYRK1ACLK2CLK3CYP19A1PIM1
SCHEMBL31317885 0.75 CLK1 (0.47) DYRK1ACLK2CLK3GCGRMAPK14
SCHEMBL21812457 0.75 CLK1 (0.47) DYRK1ACLK2CLK3GCGRMAPK14
SCHEMBL21565989 0.75 MAPK14 (0.45) DYRK1ACLK2CLK3CYP19A1GCGR
SCHEMBL21565997 0.75 TLR8 (0.47) DYRK1ACLK2CLK3PDE3BPDE3A
SCHEMBL21566047 0.73 CYP19A1 (0.47) DYRK1ACLK2CLK3CYP19A1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 US disclosed
US-20230047178-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2023-02-16 US disclosed
US-20210253569-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2021-08-19 US disclosed
WO-2019214681-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2019-11-14 WO 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 (3 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-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 DYRK1A 1454/4885CLK2 671/4885CLK3 494/4885
US-20210253569-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 DYRK1A 1454/4885CLK2 671/4885CLK3 494/4885
US-20230047178-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 DYRK1A 1454/4885CLK2 671/4885CLK3 494/4885

“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.