SCHEMBL7091177

SCHEMBL7091177

NCc1ccc(-n2cccn2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PDK2 Q15119 1/20 0.43
NOTUM Q6P988 4/20 0.41
TNIK Q9UKE5 1/20 0.39
SOS1 Q07889 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP3 Q96P20 3/20 0.38
SCN9A Q15858 1/20 0.37
PARP1 P09874 1/20 0.36
MPO P05164 2/20 0.36
CHRM1 P11229 2/20 0.35
DGAT1 O75907 1/20 0.35
HSD11B1 P28845 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
SCHEMBL10088508 0.87 PDK2 (0.47) LMNAPDK2NOTUMTNIKSOS1
SCHEMBL18181565 0.81 LMNA (0.47) LMNAPDK2NOTUMKDM4EALDH1A1
SCHEMBL29691050 0.78 NOTUM (0.53) LMNANOTUMKDM4EALDH1A1MAPK1
SCHEMBL18865832 0.78 NOTUM (0.53) LMNANOTUMKDM4EALDH1A1MAPK1
SCHEMBL13122732 0.78 PDK2 (0.46) PDK2NOTUMTNIKSOS1KDM4E
SCHEMBL15012399 0.78 NOTUM (0.64) PDK2NOTUMTNIKSOS1KDM4E
SCHEMBL7091332 0.74 SCN9A (0.52) SCN9A
SCHEMBL5066771 0.74 PDK2 (0.46) LMNAPDK2NOTUMTNIKSOS1
SCHEMBL22380080 0.72 NOTUM (0.42) LMNAPDK2NOTUMKDM4EALDH1A1
SCHEMBL45348 0.70 NOTUM (0.58) LMNANOTUMKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (2 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 LMNA 2367/4885PDK2 2235/4885NOTUM 4136/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LMNA 1884/4885PDK2 2477/4885NOTUM 3995/4885

“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.