SCHEMBL20180730

SCHEMBL20180730

Cc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
NOTUM Q6P988 6/20 0.36
WDR5 P61964 2/20 0.36
HSD11B1 P28845 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
GRM2 Q14416 1/20 0.34
SOS1 Q07889 1/20 0.34
DPP4 P27487 2/20 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
SCHEMBL20180512 0.84 WDR5 (0.38) SIRT6NOTUMWDR5HSD11B1DPP4
SCHEMBL16523153 0.82 KDM4E (0.42) ALKBH5NOTUMGRM2
SCHEMBL13123030 0.82 KDM4E (0.42) ALKBH5NOTUMGRM2
SCHEMBL21388458 0.80 ADRB1 (0.49) NOTUM
SCHEMBL15547228 0.80 WDR5 (0.44) NOTUMWDR5
SCHEMBL20180729 0.80 DGAT1 (0.41)
SCHEMBL19767129 0.78 ALKBH5 (0.37) ALKBH5NOTUMHTR2AHTR2CHTR2B
SCHEMBL19767128 0.78 ACACB (0.38) ALKBH5SIRT6NOTUMHTR2AHTR2C
SCHEMBL16181629 0.76 AR (0.53) ALKBH5NOTUMHTR2AHTR2CHTR2B
SCHEMBL21447967 0.76 MAPT (0.47)

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 ALKBH5 2188/4885SIRT6 1369/4885NOTUM 366/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALKBH5 2188/4885SIRT6 1369/4885NOTUM 366/4885

“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.