SCHEMBL16629835

SCHEMBL16629835

CNC(=O)c1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
PIM1 P11309 1/20 0.51
PDGFRA P16234 1/20 0.51
GSK3B P49841 1/20 0.51
RPS6KA3 P51812 1/20 0.51
LIMK1 P53667 1/20 0.51
CDK5 Q00535 1/20 0.51
TYRO3 Q06418 1/20 0.51
MAPK14 Q16539 1/20 0.51
LRRK2 Q5S007 1/20 0.51
AURKB Q96GD4 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
PLK1 P53350 1/20 0.43
CREBBP Q92793 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL27316081 0.80 MAPK1 (0.34) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL1498628 0.79 MAPK1 (0.59) POLBHTTRAB9AALPLMAPK1
SCHEMBL19223520 0.79 CFTR (0.44) CFTRALPL
SCHEMBL3452780 0.78 DYRK1A (0.34) SNCAALPLMAPK1
SCHEMBL1498674 0.78 ALPL (0.46) ALPL
SCHEMBL19223586 0.78 ALPL (0.57) HDAC4HDAC6ALPL
SCHEMBL15844550 0.77 HDAC3 (0.41) SNCAHDAC6ALPL
SCHEMBL19223725 0.77 ALPL (0.53) POLBKDM4EALDH1A1HDAC4HDAC6
SCHEMBL2790797 0.77 PLA2G10 (0.41) PIM1HTTSNCACCNCCDK8
Hydrochloric Acid SCHEMBL31067451 0.77 ALPL (0.45) ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 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 (1 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-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CHEK1 3332/4885RET 1392/4885PDGFRB 150/4885

“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.