SCHEMBL4260404

SCHEMBL4260404

Cc1ccc(F)c(-n2nc(CC(C)(C)C)cc2Nc2nc(C)ccc2C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
ADCY8 P40145 1/20 0.34
ADCY1 Q08828 1/20 0.34
NTRK1 P04629 1/20 0.33
SORT1 Q99523 2/20 0.33
GRN P28799 1/20 0.33
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
P2RY14 Q15391 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DHODH Q02127 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL3975282 0.87 MAPK14 (0.42) ACLYMAPK13MAPK12MAPK11MAPK14
SCHEMBL3975267 0.84 LMNA (0.42) ACLYSORT1GRNMAPK13MAPK12
SCHEMBL3883353 0.77 MAPK14 (0.48) ACLYMAPK13MAPK12MAPK11MAPK14
SCHEMBL13760071 0.76 SMN1; SMN2 (0.45) ACLYNTRK1SORT1SMN1; SMN2NPSR1
SCHEMBL3977193 0.76 MAPK14 (0.43) ACLYNTRK1MAPK13MAPK12MAPK11
SCHEMBL3976410 0.74 LMNA (0.47) MEN1KMT2ASMN1; SMN2DHODHMAPK13
SCHEMBL3973341 0.74 MAPK14 (0.40) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL3980689 0.73 HPGD (0.43) MEN1KMT2ASMN1; SMN2NPSR1MAPK13
SCHEMBL3979001 0.73 MAPT (0.39) MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3977204 0.73 KDM4C (0.35) ACLYKDM4CMEN1KMT2AMAPK14

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-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP ACLY 630/4885ADCY8 2601/4885ADCY1 3155/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP ACLY 630/4885ADCY8 2601/4885ADCY1 3155/4885

“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.