SCHEMBL18186327

SCHEMBL18186327

COc1cc([N+](=O)[O-])ccc1N1CC2CC1CN2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ RET P07949 1/20 0.38

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
SCHEMBL18186328 1.00 HSD11B1 (0.43) HSD11B1GPR119HTTPKMPARP1
SCHEMBL25797127 0.89 GPR119 (0.44) HSD11B1GPR119PARP1ALDH1A1MAPT
SCHEMBL25797111 0.89 HSD11B1 (0.41) HSD11B1GPR119HTTPARP1ALDH1A1
SCHEMBL25797157 0.89 HSD11B1 (0.41) HSD11B1GPR119PARP1ALDH1A1MAPT
SCHEMBL25797118 0.89 HSD11B1 (0.41) HSD11B1GPR119PARP1ALDH1A1MAPT
SCHEMBL18186222 0.88 HSD11B1 (0.44) HSD11B1GPR119HTTPARP1ALDH1A1
SCHEMBL18186221 0.88 HSD11B1 (0.44) HSD11B1GPR119HTTPARP1ALDH1A1
SCHEMBL18186329 0.88 HSD11B1 (0.44) HSD11B1GPR119HTTPARP1ALDH1A1
SCHEMBL30890347 0.87 ALDH1A1 (0.47) HSD11B1GPR119PARP1ALDH1A1MAPT
SCHEMBL25797144 0.85 GPR119 (0.49) HSD11B1GPR119PARP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 — — US 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

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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 HSD11B1 4242/4885GPR119 2490/4885HTT 4474/4885
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK HSD11B1 1700/4885GPR119 792/4885HTT 4825/4885

“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.

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