SCHEMBL29689341

SCHEMBL29689341

COc1ccnc(C(=O)CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
GRM5 P41594 1/20 0.36
BUB1 O43683 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
PDK2 Q15119 1/20 0.35
DYRK1A Q13627 1/20 0.34
GRM4 Q14833 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
SSTR4 P31391 1/20 0.34
PLAU P00749 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
LMNA P02545 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
SCHEMBL24443451 1.00 CCR1 (0.36) CCR1CCR5CCR8GRM5BUB1
SCHEMBL20524478 0.83 LMNA (0.43) CCR1CCR5CCR8GRM5NOS3
SCHEMBL29689474 0.79 SMN1; SMN2 (0.44) GRM4RAB9ALMNAHTR2CSLC6A4
SCHEMBL24443475 0.79 SMN1; SMN2 (0.44) GRM4RAB9ALMNAHTR2CSLC6A4
SCHEMBL15973172 0.77 CES2 (0.49) RAB9APOLBLMNA
SCHEMBL17363394 0.76 KDM4E (0.41) PDK2POLBRECQLLMNA
SCHEMBL24443450 0.76 ALDH1A1 (0.50) RAB9ARECQLLMNA
SCHEMBL3937375 0.75 CCR1 (0.41) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24443407 0.73 CTSA (0.36) PDK2HTR2CSLC6A4
SCHEMBL29689865 0.73 CTSA (0.36) PDK2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601232-B1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL LLC (US) 2022-11-23 EP disclosed
US-20220274949-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2022-09-01 US disclosed
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 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 (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-20220274949-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CCR1 4687/4885CCR5 3758/4885CCR8 4291/4885
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CCR1 4687/4885CCR5 3758/4885CCR8 4291/4885

“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.