SCHEMBL11352178

SCHEMBL11352178

Nc1cc(F)c(N2CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
MAOA P21397 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GFER P55789 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASP6 P55212 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17422290 0.85 CASP6 (0.54) BTKALDH1A1GFERMAPTLMNA
SCHEMBL17422311 0.84 KDM4E (0.37) BTKALDH1A1MAPK1LMNATDP1
SCHEMBL17422299 0.80 ALDH1A1 (0.44) BTKALDH1A1LMNAKDM4EALOX15
SCHEMBL27953752 0.79 LMNA (0.39) ALDH1A1GFERMAPTLMNACASP6
SCHEMBL3922259 0.79 MAPT (0.63) ALDH1A1GFERMAPK1MAPTLMNA
SCHEMBL17422238 0.78 DPP4 (0.40) BTKMAPTLMNATDP1KDM4E
SCHEMBL17422273 0.78 POLB (0.44) ALDH1A1MAPK1MAPTLMNATDP1
SCHEMBL2445935 0.77 GPR119 (0.49) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL19212237 0.76 SMN1; SMN2 (0.38) ALDH1A1MAPK1MAPTLMNATDP1
SCHEMBL13756987 0.75 NPSR1 (0.52) ALDH1A1MAPK1MAPTLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131032-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE 2024-04-25 US disclosed
CN-117616012-A PPARG inverse agonists and uses thereof 弗拉雷治疗公司 2024-02-27 CN disclosed
WO-2021076755-A1 AN ACTIVITY-GUIDE MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-22 WO disclosed
US-20200292555-A1 CYSTEINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-09-17 US disclosed
US-10670605-B2 Cysteine reactive probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-02 US disclosed
EP-3166945-B1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2019-10-09 EP disclosed
US-20190216893-A1 COMPOSITIONS AND METHODS OF MODULATING IMMUNE RESPONSE THE SCRIPPS RESEARCH INSTITUTE 2019-07-18 US disclosed
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
EP-3365686-A1 CYSTEINE REACTIVE PROBES AND USES THEREOF The Scripps Research Institute (US) 2018-08-29 EP disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 US disclosed
EP-3166945-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
EP-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
WO-2017070611-A1 CYSTEINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2017-04-27 WO disclosed
US-20170115303-A1 CYSTEINE REACTIVE PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
WO-2016006974-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
CN-104540830-A Pyrazolopyrimidone and pyrazolopyridone inhibitors of tankyrase HOFFMANN LA ROCHE 2015-04-22 CN disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
EP-2665727-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
WO-2012097684-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 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 (3 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-20190216893-A1 COMPOSITIONS AND METHODS OF MODULATING IMMUNE RESPONSE IFNG, MYD88, ICOS BTK 564/4885MAOA 2826/4885ALDH1A1 4498/4885
US-20240131032-A1 AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS GSTK1, GSTA2, GSTA1 BTK 1895/4885MAOA 3225/4885ALDH1A1 1423/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT BTK 329/4885MAOA 1640/4885ALDH1A1 1644/4885

“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.