SCHEMBL17754802

SCHEMBL17754802

CC(C)(N)c1n[nH]c2c(Cl)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.59
FLT3 P36888 1/20 0.59
PLK3 Q9H4B4 1/20 0.59
DAO P14920 1/20 0.40
ADRA2A P08913 1/20 0.39
NOS1 P29475 1/20 0.36
DYRK1A Q13627 3/20 0.35
PARP1 P09874 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
GAA P10253 1/20 0.34
PSMB8 P28062 1/20 0.34
HTR2A P28223 1/20 0.34
RARG P13631 1/20 0.33
MAP2 P11137 1/20 0.33
CDK9 P50750 1/20 0.33
JAK2 O60674 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
Hydrochloric Acid SCHEMBL31409976 0.98 CHEK1 (0.57) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL17515574 0.86 CHEK1 (0.58) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL17763202 0.83 AHR (0.43) CHEK1FLT3PLK3PARP1CYP1A2
SCHEMBL19564991 0.83 CHEK1 (0.54) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL17754801 0.80 CHEK1 (0.35) CHEK1FLT3PLK3PARP1TNKS
Hydrochloric Acid SCHEMBL31410063 0.79 SLC6A4 (0.34) CHEK1FLT3PLK3PARP1TNKS
SCHEMBL3004142 0.74 CHEK1 (1.00) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL13122682 0.73 CHEK1 (0.63) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL13122699 0.72 CHEK1 (0.58) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL23797047 0.72 KDM4E (0.53) CHEK1FLT3DYRK1ACYP1A2GAA

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
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-03 US disclosed
US-10183940-B2 Aryl and heteroaryl-fused tetrahydro-1,4-oxazepine amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-22 US disclosed
WO-2016075240-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-19 WO disclosed
WO-2016075239-A1 ARYL AND HETEROARYL-FUSED TETRAHYDRO-1,4-OXAZEPINE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-19 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-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR1, SSTR3 CHEK1 3218/4885FLT3 1117/4885PLK3 2668/4885
US-10183940-B2 Aryl and heteroaryl-fused tetrahydro-1,4-oxazepine amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR5 CHEK1 4345/4885FLT3 617/4885PLK3 3834/4885

“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.