SCHEMBL29636852

SCHEMBL29636852

Cn1ncc2cnc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.47
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
APP P05067 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
MEN1 O00255 2/20 0.35
CDK1 P06493 1/20 0.34

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
SCHEMBL13087506 1.00 PDE2A (0.47) PDE2AKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17813454 0.77 PI4KA (0.37) PDE2AKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18366264 0.75 CDK1 (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4ECDK1
SCHEMBL10167387 0.75 XDH (0.38) KMT2ASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL22554301 0.73 HPGD (0.46) PDE2AKMT2AKDM4ECYP1A2CYP3A4
SCHEMBL24174569 0.72 MEN1 (0.42) PDE2AKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21419275 0.72 PI4KA (0.34) PDE2AKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19421539 0.72 PI4KA (0.34) PDE2AKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15525119 0.71 PDE2A (0.40) PDE2AKMT2AALDH1A1KDM4EGAA
SCHEMBL29636867 0.71 PDE2A (0.40) PDE2AKMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed
WO-2024238570-A1 CDK2 INHIBITOR PYRAZOLOPYRIMIDINE COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-4228632-A2 REV-ERB AGONISTS Saint Louis University (US) 2023-08-23 EP disclosed
CN-116635029-A REV-ERB agonists 圣路易斯大学 2023-08-22 CN disclosed
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
WO-2022194248-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF 苏州国匡医药科技有限公司 2022-09-22 WO disclosed
WO-2022093552-A9 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-06-23 WO disclosed
WO-2022093552-A2 REV-ERB AGONISTS Saint Louis Univeristy (US) 2022-05-05 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 (2 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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 PDE2A 37/4885KMT2A 4411/4885SMN1; SMN2 3049/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB PDE2A 1427/4885KMT2A 2867/4885SMN1; SMN2 3383/4885

“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.