SCHEMBL16824876

SCHEMBL16824876

O=[N+]([O-])c1ccc(N2CCCC2)c(CO)c1

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.67
LMNA P02545 3/20 0.67
GAA P10253 3/20 0.61
SMN1; SMN2 Q16637 6/20 0.59
CYP1A2 P05177 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2C19 P33261 4/20 0.57
CYP2C9 P11712 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
PAX8 Q06710 2/20 0.51

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
SCHEMBL12006453 0.88 LMNA (0.58) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL1809565 0.87 ALDH1A1 (0.55) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL1971542 0.87 ALDH1A1 (0.57) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL1475834 0.87 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL13236920 0.86 GAA (0.63) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL1813431 0.86 ALDH1A1 (0.54) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL1811945 0.85 ALDH1A1 (0.63) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL16570120 0.85 LMNA (0.57) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL17958742 0.85 LMNA (0.57) ALDH1A1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL11280260 0.84 ALDH1A1 (0.63) ALDH1A1LMNAGAASMN1; SMN2CYP1A2

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
CN-105829315-B Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2019-03-08 CN disclosed
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
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 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 (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 1940/4885LMNA 3631/4885GAA 1730/4885

“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.