SCHEMBL16751982

SCHEMBL16751982

NC(=O)c1ccc(Br)c(F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
PTPN1 P18031 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 2/20 0.41
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
LCK P06239 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 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
SCHEMBL30194732 0.82 KDM4E (0.48) KMT2ALMNATSHRKDM4EALDH1A1
SCHEMBL29882404 0.78 PIM1 (0.42) PTPN1KMT2APIM1PLK4AURKA
SCHEMBL23030103 0.78 PIM1 (0.42) PTPN1KMT2APIM1PLK4AURKA
SCHEMBL31228792 0.76 PIM1 (0.41) APPPTPN1KMT2APIM1GRM2
SCHEMBL16505348 0.76 PIM1 (0.41) APPPTPN1KMT2APIM1GRM2
SCHEMBL153746 0.76 RAB9A (0.41) PTPN1KMT2APIM1MAPK1GRM2
SCHEMBL22912766 0.76 MAPK1 (0.47) KMT2ALCKMAPK1IRAK4KDM4E
SCHEMBL29790212 0.76 MAPK1 (0.47) KMT2ALCKMAPK1IRAK4KDM4E
SCHEMBL16421176 0.76 PTPN1 (0.47) PTPN1KMT2AKDRSCN9ACCNC
SCHEMBL21550811 0.72 MEN1 (0.33) KMT2APIM1PLK4CHEK1AURKA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US claimed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP claimed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US claimed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP claimed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US claimed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 EP claimed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US claimed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 WO claimed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP claimed
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US disclosed
US-9951017-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-04-24 US disclosed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 EP disclosed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US disclosed
WO-2015082357-A1 S1P3 ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2015-06-11 WO disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP 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 (5 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-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 APP 28/4885PTPN1 2961/4885KMT2A 2731/4885
US-20160297762-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 APP 28/4885PTPN1 2961/4885KMT2A 2731/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 APP 28/4885PTPN1 2961/4885KMT2A 2731/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 APP 28/4885PTPN1 2961/4885KMT2A 2731/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 APP 28/4885PTPN1 2961/4885KMT2A 2731/4885

“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.