SCHEMBL20180579

SCHEMBL20180579

Cc1ccc(N(C)CCCN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
USP2 O75604 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL12789301 0.93 ALDH1A1 (0.52) ALDH1A1TSHRCA12CA2CA9
SCHEMBL16520720 0.86 ALDH1A1 (0.50) ALDH1A1TSHRCA12CA2CA9
SCHEMBL14174805 0.86 ALDH1A1 (0.50) ALDH1A1TSHRCA12CA2CA9
SCHEMBL8484830 0.83 MAPT (0.58) ALDH1A1TSHRMAPTRAB9AUSP2
SCHEMBL13261438 0.81 MAPT (0.51) ALDH1A1TSHRMAPTRAB9A
SCHEMBL22837856 0.81 SLC6A4 (0.41) ALDH1A1TSHRMAPTHTR2AHRH1
SCHEMBL3156561 0.81 ALDH1A1 (0.48) ALDH1A1TSHRALOX15MAPTCYP1A2
SCHEMBL6449723 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCA12CA2CA9
SCHEMBL17776058 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMAPTCYP1A2CYP2C19
SCHEMBL12201128 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 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-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-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 (5 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 ALDH1A1 1361/4885TSHR 3402/4885CA12 4844/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885TSHR 3402/4885CA12 4844/4885
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 ALDH1A1 1876/4885TSHR 3449/4885CA12 4851/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885TSHR 3402/4885CA12 4844/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885TSHR 3402/4885CA12 4844/4885

“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.