SCHEMBL20180508

SCHEMBL20180508

Cc1cc(C)c(N2CCN(C)CC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 3/20 0.42
HRH4 Q9H3N8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAD52 P43351 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR4 P51679 1/20 0.38
BCL2A1 Q16548 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
HTR1A P08908 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
SCHEMBL21388466 0.90 HRH4 (0.46) NPSR1MAPTHRH4POLBKDM4E
SCHEMBL20180504 0.86 NPSR1 (0.53) NPSR1MAPTHRH4ALDH1A1SMN1; SMN2
SCHEMBL24722843 0.86 HRH4 (0.41) MAPTHRH4POLBHTTKDM4E
SCHEMBL21388478 0.82 NPSR1 (0.36) NPSR1MAPTHRH4ALDH1A1SMN1; SMN2
SCHEMBL20648831 0.82 KDM4E (0.54) MAPTHRH4ALDH1A1POLBHTT
SCHEMBL21388476 0.82 HRH4 (0.41) NPSR1MAPTHRH4ALDH1A1SMN1; SMN2
SCHEMBL24123758 0.82 HRH4 (0.41) NPSR1MAPTHRH4SMN1; SMN2POLB
SCHEMBL29506601 0.82 KDM4E (0.54) MAPTHRH4ALDH1A1POLBHTT
SCHEMBL25675628 0.81 HRH4 (0.42) MAPTHRH4ALDH1A1SMN1; SMN2POLB
SCHEMBL23555248 0.80 CRHR1 (0.44) NPSR1MAPTALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO 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-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
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
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-2019011228-A1 IMIDAZO[1,2-B]PYRIMIDO[4,5-D]PYRIDAZIN-5(6H)-ONE COMPOUND AND USE THEREOF 上海瑛派药业有限公司 2019-01-17 WO 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 (6 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 NPSR1 2678/4885MAPT 4290/4885HRH4 766/4885
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 NPSR1 2331/4885MAPT 4062/4885HRH4 1496/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 NPSR1 2331/4885MAPT 4062/4885HRH4 1496/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 NPSR1 2331/4885MAPT 4062/4885HRH4 1496/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 NPSR1 2678/4885MAPT 4290/4885HRH4 766/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 NPSR1 2331/4885MAPT 4062/4885HRH4 1496/4885

“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.