SCHEMBL9523246

SCHEMBL9523246

COc1cccc(F)c1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.56
DRD2 P14416 2/20 0.56
SLC2A1 P11166 1/20 0.48
SLC2A2 P11168 1/20 0.48
SLC2A3 P11169 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 4/20 0.46
HTR2C P28335 4/20 0.46
DRD4 P21917 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2B P41595 3/20 0.46
HTR1D P28221 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAP4K1 Q92918 4/20 0.44

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
SCHEMBL6927853 0.84 HRH4 (0.47) DRD3DRD2ALDH1A1
SCHEMBL10819404 0.83 MAPK1 (0.53) DRD3DRD2SLC2A1SLC2A2SLC2A3
SCHEMBL9523382 0.82 HTR3A (0.57) DRD3DRD2SLC2A1SLC2A2SLC2A3
SCHEMBL31651649 0.82 HTR3A (0.57) DRD3DRD2SLC2A1SLC2A2SLC2A3
SCHEMBL6971975 0.81 DRD3 (0.57) DRD3DRD2SMN1; SMN2HTR1AHTR2C
SCHEMBL21448005 0.80 DRD3 (0.56) DRD3DRD2HTR1AHTR2CDRD4
SCHEMBL21447973 0.80 DRD3 (0.56) DRD3DRD2MAPK1HTR1AHTR2C
SCHEMBL21447974 0.77 ALDH1A1 (0.46) MAPK1ALDH1A1MAP4K1KDM4EKMT2A
SCHEMBL14922293 0.77 DRD2 (0.44) DRD3DRD2SMN1; SMN2HTR1AHTR2A
SCHEMBL24054860 0.76 ADRA2C (0.53) DRD2MAPK1HTR1AHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 US disclosed
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones IMPACT THERAPEUTICS, INC (CN) 2020-07-07 US disclosed
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2019-10-10 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
EP-0332387-B1 Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1993-11-24 EP disclosed
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-5086049-A Bactericides NIPPONSHINYAKU CO., LTD. (JP) 1992-02-04 US disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP 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 (5 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-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 DRD3 4251/4885DRD2 4463/4885SLC2A1 3355/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 DRD3 4251/4885DRD2 4463/4885SLC2A1 3355/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 DRD3 4251/4885DRD2 4463/4885SLC2A1 3355/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C DRD3 339/4885DRD2 202/4885SLC2A1 1088/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 DRD3 4251/4885DRD2 4463/4885SLC2A1 3355/4885

“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.