SCHEMBL6469190

SCHEMBL6469190

CC(C)Nc1cncc(C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
HCAR3 P49019 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
MC3R P41968 1/20 0.39
PDPK1 O15530 1/20 0.38
GSK3B P49841 5/20 0.37
DYRK1A Q13627 5/20 0.37
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
GRM5 P41594 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL6468902 0.82 FYN (0.46) HCAR3ADORA3TSHRMC4RADRA1A
SCHEMBL5042271 0.76 HCAR3 (0.39) HCAR3ADORA3TSHRMC4RADRA1A
SCHEMBL15652792 0.76 ALDH1A1 (0.47) MAPK1HCAR3ALDH1A1GRM5
SCHEMBL7109264 0.74 TSHR (0.56) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL28199804 0.74 NPC1 (0.45) ALDH1A1
SCHEMBL5044822 0.74 HCAR3 (0.51) MAPK1HCAR3ADORA3TSHRMC4R
SCHEMBL30482996 0.74 HCAR3 (0.51) MAPK1HCAR3ADORA3TSHRMC4R
SCHEMBL19447116 0.74 CSF1R (0.53) LDHALDHB
SCHEMBL19151634 0.73 ADORA3 (0.42) MAPK1ADORA3TSHRMC4RADRA1A
SCHEMBL31636273 0.73 ADORA3 (0.42) MAPK1ADORA3TSHRMC4RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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 (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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA MAPK1 4024/4885HCAR3 748/4885ADORA3 92/4885

“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.