SCHEMBL2244546

SCHEMBL2244546

Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 6/20 1.00
▸ ADRA2A P08913 1/20 1.00
▸ HTR2C P28335 1/20 1.00
▸ AXL P30530 1/20 1.00
▸ HRH1 P35367 1/20 1.00
▸ HTR2B P41595 1/20 1.00
▸ HTR6 P50406 1/20 1.00
▸ MKNK1 Q9BUB5 1/20 1.00
▸ MKNK2 Q9HBH9 1/20 1.00
▸ NCF1 P14598 6/20 0.50
▸ ADRB1 P08588 3/20 0.50
▸ PHGDH O43175 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ HTR3A P46098 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
SCHEMBL6125303 0.86 ADRB2 (1.00) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2709564 0.86 ADRB2 (0.75) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2708517 0.85 ADRB2 (0.73) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2708405 0.84 ADRB2 (0.72) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL30058924 0.83 ADRB2 (1.00) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2711296 0.83 ADRB2 (1.00) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2857102 0.81 ADRB2 (0.69) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2724231 0.79 ADRB2 (0.90) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2214175 0.78 ADRB2 (0.64) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL2707478 0.77 ADRB2 (0.66) ADRB2ADRA2AHTR2CAXLHRH1

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
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP disclosed
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 — — US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 — — EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 — — 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD ADRB2 1044/4885ADRA2A 576/4885HTR2C 560/4885
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP ADRB2 1323/4885ADRA2A 792/4885HTR2C 3399/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ADRB2 993/4885ADRA2A 539/4885HTR2C 523/4885

“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.

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