SCHEMBL13737109

SCHEMBL13737109

O=C(O)c1cc2c(F)cc(Br)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.46
BCL2L1 Q07817 1/20 0.41
LMNA P02545 1/20 0.40
PTPN2 P17706 2/20 0.40
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
DAPK3 O43293 2/20 0.40
CHEK2 O96017 2/20 0.40
CDK1 P06493 2/20 0.40
PIM1 P11309 2/20 0.40
CDK2 P24941 2/20 0.40
MAPK9 P45984 2/20 0.40
CSNK1D P48730 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CSNK2A1 P68400 2/20 0.40
DYRK1A Q13627 2/20 0.40
AURKB Q96GD4 2/20 0.40
PLK3 Q9H4B4 2/20 0.40
PIM2 Q9P1W9 2/20 0.40

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
SCHEMBL9431415 0.83 RPS6KB1 (0.44) LMNAPTPN2CSNK1DGSK3AGSK3B
SCHEMBL20563326 0.77 PTPN2 (0.42) GPR35BCL2L1LMNAPTPN2PLK4
SCHEMBL25809967 0.77 PTPN2 (0.48) PTPN2KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL30714157 0.76 GPR35 (0.42) GPR35BCL2L1PTPN2PLK4AURKA
Hydrochloric Acid SCHEMBL9431335 0.76 PLAU (0.46) SLC9A1
SCHEMBL26111219 0.76 GPR35 (0.42) GPR35BCL2L1PTPN2PLK4AURKA
SCHEMBL3484110 0.75 STING1 (0.42) GPR35BCL2L1PLK4AURKADAPK3
SCHEMBL20563294 0.74 GPR35 (0.44) GPR35BCL2L1PTPN2DAOKDM4E
SCHEMBL30849844 0.73 KDM4E (0.43) GPR35BCL2L1LMNAPTPN2PLK4
SCHEMBL2893037 0.73 SLC9A1 (0.62) GPR35BCL2L1PLK4AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 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-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 GPR35 2010/4885BCL2L1 3600/4885LMNA 4390/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 GPR35 2010/4885BCL2L1 3600/4885LMNA 4390/4885

“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.