SCHEMBL20180504

SCHEMBL20180504

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CCR4 P51679 1/20 0.43
HTR1A P08908 3/20 0.42
HTR3A P46098 2/20 0.42
ACHE P22303 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ALOX15 P16050 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ADRA2C P18825 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
SCHEMBL20106885 0.91 ALDH1A1 (0.60) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL14001906 0.87 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL21388473 0.86 SMN1; SMN2 (0.42) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL20180480 0.86 ALDH1A1 (0.42) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL20180508 0.86 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL21388463 0.83 DRD2 (0.45) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL24722735 0.83 MAPT (0.39) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL20180496 0.83 ADRA2C (0.48) ALDH1A1MAPTPOLBHTTKDM4E
SCHEMBL20180762 0.83 MAPT (0.39) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL24773960 0.82 NPSR1 (0.40) NPSR1ALDH1A1SMN1; SMN2MAPTPOLB

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
WO-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 WO 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
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-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 2678/4885ALDH1A1 1689/4885SMN1; SMN2 3438/4885
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 NPSR1 2331/4885ALDH1A1 1361/4885SMN1; SMN2 3418/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 NPSR1 2331/4885ALDH1A1 1361/4885SMN1; SMN2 3418/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 NPSR1 2331/4885ALDH1A1 1361/4885SMN1; SMN2 3418/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 NPSR1 2678/4885ALDH1A1 1689/4885SMN1; SMN2 3438/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 NPSR1 2331/4885ALDH1A1 1361/4885SMN1; SMN2 3418/4885

“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.