SCHEMBL2021817

SCHEMBL2021817

CC(=O)OCc1nc(Cl)cc(N2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GBA1 P04062 3/20 0.39
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
SLC29A1 Q99808 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APAF1 O14727 1/20 0.34
GAA P10253 1/20 0.34
PPP1CA P62136 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
SCHEMBL6034188 0.81 ALDH1A1 (0.41) LMNAALDH1A1HPGDCYP1A2KDM4E
SCHEMBL28989609 0.78 LMNA (0.46) LMNAGBA1ADORA2AADORA1KMT2A
SCHEMBL2027503 0.76 SORD (0.45) LMNAKMT2AMAPTCYP1A2CYP2D6
SCHEMBL3242401 0.76 CYP1A2 (0.37) LMNAGBA1KMT2AALDH1A1MAPT
SCHEMBL2021947 0.76 CYP1A2 (0.44) KMT2AMAPTCYP1A2CYP2D6
SCHEMBL21157766 0.75 CRHBP (0.42) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL11963077 0.74 LMNA (0.42) LMNAGBA1KMT2AALDH1A1HPGD
SCHEMBL20579122 0.71 ALDH1A1 (0.34) ALDH1A1CYP1A2KDM4E
SCHEMBL2020520 0.71 KMT2A (0.38) LMNAKMT2AALDH1A1HPGDMAPT
SCHEMBL12903091 0.70 HTR3A (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PRECISION MEDICINE (FR) 2023-11-09 US disclosed
WO-2021224320-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2021-11-11 WO disclosed
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A LMNA 2358/4885GBA1 2753/4885ADORA2A 623/4885
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, RIN1, GRK3 LMNA 1734/4885GBA1 510/4885ADORA2A 1635/4885

“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.