SCHEMBL3567508

SCHEMBL3567508

CN(C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
BCHE P06276 4/20 0.55
ACHE P22303 4/20 0.55
BACE1 P56817 4/20 0.55
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KCNJ1 P48048 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 4/20 0.51
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
CCR5 P51681 1/20 0.49
LTA4H P09960 1/20 0.49
GBA1 P04062 1/20 0.47

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
SCHEMBL21875703 0.92 KDM4E (0.62) KDM4EBCHEACHEBACE1ALDH1A1
SCHEMBL4369274 0.83 ALDH1A1 (0.65) KDM4EALDH1A1LMNASMN1; SMN2CCR5
SCHEMBL27569998 0.81 BCHE (0.57) KDM4EBCHEACHEBACE1ALDH1A1
SCHEMBL14924455 0.80 LTA4H (0.55) BCHEACHEBACE1ALDH1A1LMNA
SCHEMBL10288535 0.80 LTA4H (0.55) ACHELTA4H
SCHEMBL5193010 0.80 LTA4H (0.55) KDM4EBCHEACHEBACE1ALDH1A1
SCHEMBL4591511 0.80 LTA4H (0.55) KDM4EBCHEACHEBACE1ALDH1A1
SCHEMBL18516568 0.80 LTA4H (0.55) BCHEACHEBACE1ALDH1A1LMNA
SCHEMBL5951343 0.80 LTA4H (0.55) KDM4EBCHEACHEBACE1ALDH1A1
SCHEMBL27081898 0.79 ABL1 (0.41) BCHEACHEBACE1MAPTLTA4H

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
EP-4464699-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Lisen Therapeutics, Inc. (US) 2024-11-20 EP disclosed
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF LISEN THERAPEUTICS, INC. 2024-10-31 US disclosed
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 WO disclosed
CN-116444488-A Pyrimidine-2, 4-diamine derivative and preparation method and application thereof 上海立森印迹医药技术有限公司 2023-07-18 CN disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 KDM4E 2158/4885BCHE 3958/4885ACHE 2682/4885
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF DPYD, TYMP, TYMS KDM4E 2411/4885BCHE 1509/4885ACHE 3210/4885

“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.