SCHEMBL18528995

SCHEMBL18528995

O=C(O[C@@H]1COC[C@@H]1c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.48
SLC18A3 Q16572 1/20 0.46
HSP90AB1 P08238 1/20 0.45
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNA7 P36544 1/20 0.41

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
SCHEMBL18528997 1.00 BCHE (0.48) BCHESLC18A3HSP90AB1CHRM2CHRM4
SCHEMBL18528999 1.00 BCHE (0.48) BCHESLC18A3HSP90AB1CHRM2CHRM4
SCHEMBL28262599 0.87 BCHE (0.55) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL26832050 0.82 BCHE (0.51) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL13475155 0.82 BCHE (0.51) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL30709622 0.82 BCHE (0.51) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22101386 0.81 BCHE (0.50) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22393926 0.81 BCHE (0.50) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22393637 0.81 BCHE (0.50) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL20897888 0.80 CHRM2 (0.50) BCHESLC18A3HSP90AB1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337787-B1 1H-PYRAZOLO[3,4-B]PYRIDINE, 1H-THIENO[2,3-C]PYRAZOLE AND 1H-INDAZOLE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS EXTRACELLULAR SIGNAL-REGULATED KINASES (ERK) INHIBITORS FOR TREATING CANCER JS INNOPHARM SHANGHAI LTD (CN) 2021-03-03 EP disclosed
EP-3337787-B1 1H-PYRAZOLO[3,4-B]PYRIDINE, 1H-THIENO[2,3-C]PYRAZOLE AND 1H-INDAZOLE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS EXTRACELLULAR SIGNAL-REGULATED KINASES (ERK) INHIBITORS FOR TREATING CANCER JS INNOPHARM SHANGHAI LTD (CN) 2021-03-03 EP disclosed
US-10696687-B2 Pyrazolo fused heterocyclic compounds as ERK inhibitors CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2020-06-30 US disclosed
US-10696687-B2 Pyrazolo fused heterocyclic compounds as ERK inhibitors CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2020-06-30 US disclosed
US-20180237450-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2018-08-23 US disclosed
EP-3337787-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Changzhou Jiekai Pharmatech Co. Ltd. (CN) 2018-06-27 EP disclosed
WO-2017028314-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-02-23 WO disclosed
WO-2017028314-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-02-23 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 (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-20180237450-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS MAPK1, MAPK3, MAP3K20 BCHE 4644/4885SLC18A3 2233/4885HSP90AB1 1257/4885
US-10696687-B2 Pyrazolo fused heterocyclic compounds as ERK inhibitors MAPK1, MAPK3, MAP3K20 BCHE 4644/4885SLC18A3 2233/4885HSP90AB1 1257/4885

“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.