SCHEMBL20180729

SCHEMBL20180729

Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
TGFBR1 P36897 2/20 0.39
ACVR1 Q04771 2/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 2/20 0.34
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB1 P08588 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL21388458 0.84 ADRB1 (0.49) TGFBR1ACVR1ALDH1A1KMT2AADRB1
SCHEMBL20180751 0.82 GAA (0.38) TGFBR1ACVR1KCNH2ALDH1A1LMNA
SCHEMBL18436857 0.80 MAPT (0.45) DGAT1ALDH1A1LMNAHTTKMT2A
SCHEMBL21447967 0.80 MAPT (0.47) ALDH1A1LMNAKMT2AADRB1MAPT
SCHEMBL19012618 0.80 MAPT (0.45) DGAT1ALDH1A1LMNAHTTKMT2A
SCHEMBL22643129 0.80 CTSC (0.45) DGAT1TGFBR1ACVR1KCNH2CHRM2
SCHEMBL20180730 0.80 ALKBH5 (0.39)
SCHEMBL16088325 0.77 PDE4B (0.36) DGAT1KCNH2CHRM2SLC6A2SLC6A4
SCHEMBL21259130 0.77 RXRA (0.41) DGAT1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL20180514 0.77 GAA (0.50) TGFBR1ACVR1KCNH2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-20190308984-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 DGAT1 3660/4885TGFBR1 2478/4885ACVR1 2984/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 DGAT1 3660/4885TGFBR1 2478/4885ACVR1 2984/4885

“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.