SCHEMBL3221554

SCHEMBL3221554

Cc1c[nH]c2c(F)cccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.58
SLC6A4 P31645 7/20 0.53
MPO P05164 7/20 0.53
ATM Q13315 1/20 0.47
AR P10275 1/20 0.45
HTR2A P28223 1/20 0.43
REN P00797 1/20 0.43
RIPK1 Q13546 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42

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
Ethoxycarbonyl Group SCHEMBL27687183 0.82 GPR84 (0.45) GPR84SLC6A4MPOARHTR2A
SCHEMBL2143637 0.80 TRIM24 (0.60) ATMARHTR2ARENMAPT
SCHEMBL31049406 0.80 GPR84 (0.64) GPR84SLC6A4MPORIPK1
SCHEMBL31607554 0.80 TRIM24 (0.60) ATMARHTR2ARENMAPT
SCHEMBL15692504 0.78 REN (0.57) ATMARHTR2ARENMAPT
SCHEMBL16727192 0.77 DYRK1A (0.53) ATMARHTR2ARENMAPT
SCHEMBL5248011 0.77 ATM (0.48) ATMHTR2ARENMAPTSMN1; SMN2
SCHEMBL4078677 0.75 DYRK1A (0.55) SLC6A4ATMARHTR2AREN
SCHEMBL1137500 0.75 DYRK1A (0.55) SLC6A4ATMARHTR2AREN
SCHEMBL7089054 0.75 REN (0.50) ATMHTR2ARENMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702354-B1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2024-05-22 EP disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
WO-2023018747-A1 INHIBITORS OF HYPOXIA-INDUCIBLE FACTORS THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-16 WO disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-11465984-B2 Compound having ERK kinase inhibitory activity and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2022-10-11 US disclosed
WO-2022078416-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 WO disclosed
EP-3702354-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-09-02 EP disclosed
EP-3702354-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-09-02 EP disclosed
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2020-08-06 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
CN-1960973-A 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake WYETH CORP (US) 2007-05-09 CN disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (7 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GPR84 162/4885SLC6A4 1888/4885MPO 538/4885
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT GPR84 1874/4885SLC6A4 13/4885MPO 1908/4885
US-11465984-B2 Compound having ERK kinase inhibitory activity and use thereof MAPK1, MAPK4, MAPK7 GPR84 2862/4885SLC6A4 4400/4885MPO 2553/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT GPR84 1874/4885SLC6A4 13/4885MPO 1908/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS GPR84 3471/4885SLC6A4 4808/4885MPO 2780/4885
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF MAPK1, MAPK4, MAPK7 GPR84 2862/4885SLC6A4 4400/4885MPO 2553/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT GPR84 1874/4885SLC6A4 13/4885MPO 1908/4885

“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.