SCHEMBL18690489

SCHEMBL18690489

CC(C)(C)OC(=O)N(C(=O)O)c1ccc(Br)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
SOS1 Q07889 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15755068 0.93 AAK1 (0.41) AAK1KDM4EALDH1A1LMNATDP1
SCHEMBL18690355 0.86 LMNA (0.36) AAK1KDM4EALDH1A1LMNATDP1
SCHEMBL25338219 0.82 ESRRA (0.41) TSHRNPSR1
SCHEMBL27906122 0.80 AAK1 (0.41) AAK1KDM4EALDH1A1LMNATDP1
SCHEMBL6351465 0.75 NR1H4 (0.40) ALDH1A1TSHRMEN1KMT2AHSD11B1
SCHEMBL18690434 0.75 HTR6 (0.42) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL25337277 0.75 MAPT (0.46) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL25337283 0.75 MAPT (0.46) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL6490662 0.75 CYP4F2 (0.42) ALDH1A1TSHRMEN1KMT2A
SCHEMBL28743723 0.75 GABRG2 (0.33) NPSR1

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
EP-3129374-B1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2018-12-19 EP disclosed
US-9856258-B2 (5,6-dihydro)pyrimido[4,5-E]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2018-01-02 US disclosed
US-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-04-06 US 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 (1 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-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES DHFR, CYP2D6, DPYD AAK1 2945/4885KDM4E 754/4885ALDH1A1 111/4885

“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.