SCHEMBL20180487

SCHEMBL20180487

Cc1cc(Cl)c2c(c1)CN(C)CC21CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
NOTUM Q6P988 3/20 0.32
WEE1 P30291 3/20 0.32
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL20180483 0.83 KDM4E (0.37) KDM4ESLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL21388387 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6HRH4
SCHEMBL21447975 0.77 ADRA2A (0.46) KDM4ENOTUMWEE1ADRA2ACYP2D6
SCHEMBL13573992 0.70 KDM4E (0.47) KDM4ESLC6A2SLC6A4SLC6A3WEE1
SCHEMBL24124011 0.68 KDM4E (0.48) KDM4ESLC6A2SLC6A4SLC6A3WEE1
SCHEMBL21448033 0.68 MAOA (0.41) KDM4ESLC6A2SLC6A4SLC6A3NOTUM
SCHEMBL20180485 0.68 SLC6A2 (0.34) KDM4ESLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL22993030 0.68 KDM4E (0.35) KDM4EWEE1
SCHEMBL24462606 0.65 ADRA2A (0.47) SLC6A4ADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL20889896 0.64 PABPC1 (0.30)

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 4 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
EP-3543242-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND Impact Therapeutics, Inc (CN) 2019-09-25 EP disclosed
WO-2018090939-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND 上海瑛派药业有限公司 2018-05-24 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-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 KDM4E 305/4885SLC6A2 3865/4885SLC6A4 3617/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 KDM4E 305/4885SLC6A2 3865/4885SLC6A4 3617/4885

“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.