SCHEMBL18186367

SCHEMBL18186367

CN(Cc1cc(N)ccc1-c1ccncc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 2/20 0.38
AAK1 Q2M2I8 4/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
POLB P06746 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34
GRM2 Q14416 1/20 0.34
CYP17A1 P05093 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL18186258 0.87 CYP11B1 (0.43) AAK1HTR2CSLC6A4SLC22A12CYP11B1
SCHEMBL28241590 0.85 MGLL (0.38) ALDH1A1HPGDHSD17B10MGLLABHD6
SCHEMBL31468983 0.82 HTR2C (0.38) AAK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL16824942 0.82 CYP19A1 (0.43) ALDH1A1MGLLABHD6CYP11B1CYP11B2
SCHEMBL18186254 0.80 HTR2C (0.38) AAK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL8169426 0.80 RIPK1 (0.46) AAK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL8169606 0.80 SLC6A4 (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL8164937 0.80 HTR2C (0.38) AAK1HTR2CSLC6A4CACNA1GCACNA1B
SCHEMBL7246130 0.79 MEN1 (0.42) ALDH1A1AAK1HTR2CSLC6A4POLB
SCHEMBL28146649 0.79 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10MGLLABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106829451-A A kind of rotary sample introduction mobile device of carbon tetrachloride monitor straight line and its method of work 徐州工程学院 2017-06-13 CN claimed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
CN-106829451-A A kind of rotary sample introduction mobile device of carbon tetrachloride monitor straight line and its method of work 徐州工程学院 2017-06-13 CN disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 ALDH1A1 1940/4885HPGD 2207/4885HSD17B10 3485/4885

“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.