SCHEMBL22918681

SCHEMBL22918681

CN1CCN(CCOc2ccnc(N)c2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29615540 1.00 NOS3 (0.41) NOS3NOS1NOS2BRD4SIGMAR1
SCHEMBL2023773 0.81 MEN1 (0.55) NOS3NOS1NOS2SIGMAR1SLC6A2
SCHEMBL22919001 0.78 LTA4H (0.57) SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL22918728 0.78 LTA4H (0.54) NOS3NOS1NOS2SMN1; SMN2KMT2A
SCHEMBL29615643 0.78 LTA4H (0.57) SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL29615365 0.78 LTA4H (0.54) NOS3NOS1NOS2SMN1; SMN2KMT2A
SCHEMBL2029749 0.77 MAOA (0.45) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL9937972 0.75 DRD2 (0.41) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL9939027 0.75 DRD2 (0.41) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL22918755 0.75 HRH3 (0.58) NOS3NOS1NOS2SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109697-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2026-04-23 — — US disclosed
US-20220267320-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2022-08-25 — — US disclosed
EP-4003992-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL) -PYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2022-06-01 — — EP disclosed
CN-114174293-A 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2022-03-11 — — CN disclosed
WO-2021013864-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL) -PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-28 — — WO disclosed
WO-2021013864-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL) -PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-28 — — 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-20260109697-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES CHUK, CNKSR1, KIT NOS3 545/4885NOS1 981/4885NOS2 1059/4885
US-20220267320-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES NCOA3, NCOR1, NCOA4 NOS3 246/4885NOS1 1055/4885NOS2 1338/4885

“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.

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