SCHEMBL12848429

SCHEMBL12848429

Cc1ccc(C(C)C)nc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
GCGR P47871 1/20 0.31
CYP1A2 P05177 1/20 0.31
SYK P43405 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL24502166 0.85 NOS3 (0.35) NOS3NOS1NOS2PDE2APDE10A
SCHEMBL10391846 0.78 NOS3 (0.46) NOS3NOS1NOS2PDE2APDE10A
SCHEMBL10391848 0.78 CCR1 (0.40) NOS3NOS1NOS2LMNATRPA1
SCHEMBL12512787 0.76 LMNA (0.32) NOS3NOS1NOS2LMNATRPA1
SCHEMBL12796015 0.76 LMNA (0.31) NOS3NOS1NOS2LMNATRPA1
SCHEMBL20780328 0.74 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL20780323 0.74 GLP1R (0.34) PDE2APDE10A
SCHEMBL18779064 0.74 HTR1B (0.36) PDE2APDE10AGCGRSYKKCNH2
SCHEMBL6709734 0.74 TYR (0.34) PDE2APDE10ALMNATRPA1PTGS1
SCHEMBL22246660 0.74 TRPA1 (0.39) LMNATRPA1PTGS1CACNA1CGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373969-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-11-23 US disclosed
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CARDURION PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-08-24 US disclosed
US-11680056-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2023-06-20 US disclosed
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2022-12-22 US disclosed
WO-2021023876-A1 GNRH ANTAGONISTS FOR THE TREATMENT OF ESTROGEN-DEPENDENT DISORDERS ObsEva S.A. (CH) 2021-02-11 WO disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (6 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-20230373969-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 NOS3 3656/4885NOS1 3327/4885NOS2 1407/4885
US-11680056-B2 MK2 inhibitors and uses thereof MKNK2, ENPP2, MAPKAPK2 NOS3 3656/4885NOS1 3327/4885NOS2 1407/4885
US-20230265076-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 NOS3 3656/4885NOS1 3327/4885NOS2 1407/4885
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 NOS3 3804/4885NOS1 3611/4885NOS2 1811/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS3 248/4885NOS1 335/4885NOS2 211/4885
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A NOS3 1290/4885NOS1 1528/4885NOS2 1388/4885

“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.