SCHEMBL1968454

SCHEMBL1968454

CN1CCN(c2ccc([N+](=O)[O-])cc2CC(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
LMNA P02545 5/20 0.60
GAA P10253 2/20 0.60
WDR5 P61964 5/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL11280260 0.88 ALDH1A1 (0.63) ALDH1A1LMNAGAAKMT2APOLB
SCHEMBL11277081 0.87 ALDH1A1 (0.65) ALDH1A1LMNAGAAKMT2APOLB
SCHEMBL26655887 0.86 ALDH1A1 (0.55) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL1971542 0.85 ALDH1A1 (0.57) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL25329551 0.83 ALDH1A1 (0.55) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL15506819 0.83 HTT (0.55) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL30878762 0.83 ALDH1A1 (0.50) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL30114964 0.83 ALDH1A1 (0.63) ALDH1A1LMNAGAACYP1A2CYP3A4
SCHEMBL23887626 0.83 ALDH1A1 (0.63) ALDH1A1LMNAGAACYP1A2CYP3A4
SCHEMBL2011449 0.82 LMNA (0.54) ALDH1A1LMNAGAAWDR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340556-A1 PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF SOLTEGO INC (US) 2025-11-06 US disclosed
EP-4526307-A1 PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF Soltego, Inc. (US) 2025-03-26 EP disclosed
WO-2023225097-A1 PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF SOLTEGO, INC. (US) 2023-11-23 WO disclosed
EP-2334301-B1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO SA (CH) 2018-02-14 EP disclosed
US-8815872-B2 Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-01 US disclosed
EP-2334301-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS Merck Serono SA (CH) 2011-06-22 EP disclosed
WO-2010028116-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-03-11 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-20250340556-A1 PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF SIK2, SIK1, SIK3 ALDH1A1 2257/4885LMNA 3188/4885GAA 839/4885
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS AURKC, AURKA, AURKB ALDH1A1 4424/4885LMNA 2969/4885GAA 2546/4885

“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.