SCHEMBL20180602

SCHEMBL20180602

Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 7/20 0.39
DRD4 P21917 5/20 0.39
IGF1R P08069 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 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
SCHEMBL21448008 0.85 ALDH1A1 (0.39) ALDH1A1MAPTMCOLN3HTTPOLB
SCHEMBL29533302 0.83 MAPT (0.56) ALDH1A1MAPTHTTPOLBIGF1R
SCHEMBL20648858 0.83 ACACB (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL23262628 0.83 MAPT (0.56) ALDH1A1MAPTHTTPOLBIGF1R
SCHEMBL10126811 0.83 MAPT (0.56) ALDH1A1MAPTHTTPOLBIGF1R
SCHEMBL23262620 0.83 HTR1B (0.34) ALDH1A1MAPTHTTPOLBIGF1R
SCHEMBL20180601 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHTTNPSR1LMNA
SCHEMBL24123784 0.81 TRPV1 (0.35) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL25678507 0.81 LMNA (0.38) ALDH1A1MAPTHTTIGF1RLMNA
SCHEMBL25678498 0.81 TRPV1 (0.35) ALDH1A1MAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP 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-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-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 (4 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 ALDH1A1 1689/4885MAPT 4290/4885MCOLN3 4770/4885
US-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885MAPT 4062/4885MCOLN3 4661/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885MAPT 4062/4885MCOLN3 4661/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 ALDH1A1 1689/4885MAPT 4290/4885MCOLN3 4770/4885

“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.