SCHEMBL7970820

SCHEMBL7970820

N#Cc1ccnc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
PPARG P37231 1/20 0.39
USP30 Q70CQ3 3/20 0.39
TGFBR1 P36897 1/20 0.38
GRM5 P41594 3/20 0.37
KDM4C Q9H3R0 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
EGFR P00533 1/20 0.36
NPY5R Q15761 3/20 0.36
KCNH2 Q12809 2/20 0.36
HSD11B1 P28845 1/20 0.36
CYP11B1 P15538 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL21101287 0.84 MAPKAPK2 (0.45) MAPKAPK2PPARGUSP30TGFBR1GRM5
SCHEMBL17116616 0.81 PPARG (0.43) MAPKAPK2PPARGUSP30TGFBR1GRM5
SCHEMBL15104626 0.78 NPY5R (0.53) MAPKAPK2PPARGGRM5NPY5RKCNH2
SCHEMBL28533733 0.78 ALDH1A1 (0.47) MAPKAPK2PPARGTGFBR1GRM5CLK4
SCHEMBL17116566 0.78 CLK4 (0.43) MAPKAPK2PPARGUSP30TGFBR1GRM5
SCHEMBL10202133 0.78 MMP3 (0.52) MAPKAPK2PPARGUSP30TGFBR1GRM5
SCHEMBL28908876 0.78 MEN1 (0.40) MAPKAPK2PPARGUSP30TGFBR1GRM5
SCHEMBL30158989 0.78 ASIC3 (0.53) TGFBR1GRM5CLK4FFAR1
SCHEMBL2949191 0.78 ASIC3 (0.53) TGFBR1GRM5CLK4FFAR1
SCHEMBL16180325 0.77 CLK4 (0.51) GRM5CLK4KDM1A

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
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 MAPKAPK2 3014/4885PPARG 1056/4885USP30 4205/4885

“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.