SCHEMBL22918689

SCHEMBL22918689

Nc1cc(OCCCN2CCC(F)(F)C2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.47
▸ SLC6A4 P31645 4/20 0.47
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD2 P14416 1/20 0.37
▸ EHMT2 Q96KQ7 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ FGFR1 P11362 2/20 0.36
▸ FGFR2 P21802 2/20 0.36
▸ FGFR4 P22455 2/20 0.36
▸ FGFR3 P22607 2/20 0.36
▸ KDR P35968 2/20 0.36

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
SCHEMBL29615464 1.00 HRH3 (0.47) HRH3SLC6A4NOS3NOS1NOS2
SCHEMBL29615499 0.94 DRD2 (0.43) HRH3SLC6A4NOS3NOS1NOS2
SCHEMBL22919100 0.94 DRD2 (0.43) HRH3SLC6A4NOS3NOS1NOS2
SCHEMBL22918759 0.80 HRH3 (0.54) HRH3EHMT2MAOB
SCHEMBL29615450 0.80 HRH3 (0.54) HRH3EHMT2MAOB
SCHEMBL22918755 0.78 HRH3 (0.58) HRH3NOS3NOS1NOS2
SCHEMBL29868643 0.77 HRH3 (0.45) HRH3SLC6A4HRH2HRH1DRD2
SCHEMBL29615558 0.76 HRH3 (0.57) HRH3HRH2HRH1FGFR1
SCHEMBL22918726 0.76 HRH3 (0.57) HRH3HRH2HRH1FGFR1
SCHEMBL22919001 0.73 LTA4H (0.57) —

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 HRH3 163/4885SLC6A4 4447/4885NOS3 545/4885
US-20220267320-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES NCOA3, NCOR1, NCOA4 HRH3 102/4885SLC6A4 1031/4885NOS3 246/4885

“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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