SCHEMBL31663792

SCHEMBL31663792

Cc1ncnc(C)c1-c1cc([N+](=O)[O-])ccc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
PDE4B Q07343 1/20 0.43
CHEK2 O96017 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BTK Q06187 1/20 0.39

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
SCHEMBL31663781 0.86 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL4476418 0.85 PDE4B (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL20694272 0.82 PDE4B (0.48) PDE4BCHEK2ALDH1A1LMNAMAPT
SCHEMBL13419624 0.82 GPR119 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL20694220 0.82 PDE4B (0.48) PDE4BCHEK2ALDH1A1LMNAMAPT
SCHEMBL4204576 0.82 PDE4B (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL4218331 0.82 PDE4B (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29619007 0.80 GPR119 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL31663755 0.80 ALOX5AP (0.43) ALDH1A1LMNAMAPT
SCHEMBL31663766 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2026-02-24 US disclosed
US-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2025-08-28 US disclosed
EP-4236937-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2025-07-23 EP 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-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto HTR2A, HTR5A, HTR1A PIK3CD 1664/4885PIK3CA 1186/4885PIK3CB 1116/4885
US-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR2C, HTR1A, HTR2A PIK3CD 3082/4885PIK3CA 3460/4885PIK3CB 2518/4885

“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.