SCHEMBL21963629

SCHEMBL21963629

Cc1cc(C)nc(NCC(=O)O)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 3/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 2/20 0.50
KLK7 P49862 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALPL P05186 1/20 0.46
ALPG P10696 1/20 0.46
PLAA Q9Y263 1/20 0.46
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
VCP P55072 1/20 0.42

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
SCHEMBL721907 0.80 CA12 (0.51) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL13603829 0.80 KDM4E (0.49) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL8787979 0.77 KMT2A (0.58) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL10891266 0.76 KMT2A (0.53) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL17089132 0.75 CA1 (0.45) KMT2AKDM4EMEN1GAAKLK7
SCHEMBL5488954 0.75 CA12 (0.51) KMT2AKDM4EMAPTKLK7RAB9A
SCHEMBL10894406 0.74 KMT2A (0.52) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL10894290 0.74 KMT2A (0.52) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL3867453 0.74 MAPT (0.62) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL20476391 0.73 KMT2A (0.42) KMT2AKDM4EMEN1GAAMAPK1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4428136-B1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-11-26 EP claimed
WO-2024189472-A1 IMPROVED SYNTHETIC METHODS OF MAKING SUBSTITUTED PYRIMIDINE INTERMEDIATES FOR SYNTHESIS OF OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-19 WO claimed
EP-4428136-A2 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2024-09-11 EP claimed
CN-113038952-B Improved synthetic methods for preparing fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2024-08-23 CN claimed
US-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-07-09 US claimed
EP-3880204-B1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-05-15 EP claimed
US-20220009932-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 US claimed
EP-3880204-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2021-09-22 EP claimed
CN-113038952-A Improved synthetic process for the preparation of fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2021-06-25 CN claimed
WO-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 WO claimed
EP-4428136-B1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-11-26 EP disclosed
WO-2024189472-A1 IMPROVED SYNTHETIC METHODS OF MAKING SUBSTITUTED PYRIMIDINE INTERMEDIATES FOR SYNTHESIS OF OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-19 WO disclosed
WO-2024189472-A1 IMPROVED SYNTHETIC METHODS OF MAKING SUBSTITUTED PYRIMIDINE INTERMEDIATES FOR SYNTHESIS OF OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-19 WO disclosed
EP-4428136-A2 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2024-09-11 EP disclosed
CN-113038952-B Improved synthetic methods for preparing fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2024-08-23 CN disclosed
US-20220009932-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 US disclosed
EP-3880204-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2021-09-22 EP disclosed
CN-113038952-A Improved synthetic process for the preparation of fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2021-06-25 CN disclosed
WO-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 WO disclosed
WO-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 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-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators HCRTR2, HCRTR1, HTR3D KMT2A 957/4885KDM4E 528/4885MEN1 1926/4885
US-20220009932-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, HTR3D KMT2A 1074/4885KDM4E 531/4885MEN1 1936/4885

“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.