SCHEMBL3979960

SCHEMBL3979960

COc1cccc(C)c1-n1nc(C(C)(C)C)cc1Nc1ncccc1C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44

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
SCHEMBL3860009 0.87 MEN1 (0.48) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL13759997 0.81 BRAF (0.38) MAPTALDH1A1MAPK14MAPK11MAPK13
SCHEMBL3972382 0.81 MEN1 (0.46) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL3973612 0.79 LMNA (0.50) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL5007746 0.78 GFER (0.51) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL3976214 0.77 LMNA (0.41) KDM4ENPSR1MEN1KMT2APOLB
SCHEMBL3977205 0.77 BRAF (0.41) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3979442 0.75 MAPK14 (0.40) MEN1KMT2APOLBALDH1A1MAPK14
SCHEMBL3976266 0.73 SYK (0.40) MAPTTP53MAPK14MAPK11MAPK13
SCHEMBL4251779 0.73 LMNA (0.45) MAPTNPSR1MEN1KMT2AALDH1A1

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 MAPT 3713/4885KDM4E 3885/4885NPSR1 2861/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP MAPT 3713/4885KDM4E 3885/4885NPSR1 2861/4885

“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.