SCHEMBL20180485

SCHEMBL20180485

Cc1cc(C)c2c(c1)CN(C)CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.34
SLC6A4 P31645 9/20 0.34
SLC6A3 Q01959 9/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.31
BTK Q06187 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28587635 0.83 BRD4 (0.34) ALDH1A1
SCHEMBL20648805 0.83 ADRA2C (0.31)
SCHEMBL21388387 0.83 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL20889893 0.81
SCHEMBL20180483 0.81 KDM4E (0.37) SLC6A2SLC6A4SLC6A3NPSR1CYP2D6
SCHEMBL21448024 0.76 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3BTKALDH1A1
SCHEMBL5986119 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6BTK
SCHEMBL24123819 0.69 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6BTK
SCHEMBL20889896 0.67 PABPC1 (0.30) NPSR1
SCHEMBL20892186 0.66

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-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-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
WO-2020210375-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
US-20200131192-A1 IMIDAZO[1,2-b]PYRIMIDO[4,5-d]PYRIDAZIN-5(6H)-ONES AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2020-04-30 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 (3 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-20200131192-A1 IMIDAZO[1,2-b]PYRIMIDO[4,5-d]PYRIDAZIN-5(6H)-ONES AND THE USE THEREOF WEE1, WEE2, CCNE1 SLC6A2 3819/4885SLC6A4 3514/4885SLC6A3 2974/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 SLC6A2 3865/4885SLC6A4 3617/4885SLC6A3 2847/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 SLC6A2 3819/4885SLC6A4 3514/4885SLC6A3 2974/4885

“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.