SCHEMBL22946641

SCHEMBL22946641

COc1cccc2cn(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
NQO2 P16083 5/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
HPGDS O60760 2/20 0.44
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL30929263 0.78 PSEN1 (0.40) NQO2JAK2JAK1TYK2JAK3
SCHEMBL26447069 0.77 MCHR1 (0.42) MCHR1PSEN1PSEN2APH1BNCSTN
SCHEMBL28804178 0.76 PARP1 (0.52) MCHR1NQO2KDM4EMEN1GAA
SCHEMBL25606094 0.75 PSEN1 (0.36) NQO2JAK2JAK1TYK2JAK3
SCHEMBL22946637 0.75 MCL1 (0.42) NQO2JAK2JAK1TYK2JAK3
SCHEMBL7955178 0.75 NOS1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14255817 0.74 ADORA3 (0.44) MCHR1NQO2MAPTKDM4EGAA
SCHEMBL22946638 0.73 NQO2 (0.39) NQO2MAPTMEN1GAAKMT2A
SCHEMBL24165946 0.73 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20665047 0.73 XPO1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-04-17 US disclosed
WO-2021016670-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2021-02-04 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 (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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RTCB, NSUN2, PRPF19 MCHR1 4674/4885NQO2 1054/4885JAK2 2555/4885

“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.