SCHEMBL3980689

SCHEMBL3980689

CCOC(=O)c1ccc(C)nc1Nc1cc(CC(C)(C)C)nn1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 5/20 0.40
LMNA P02545 5/20 0.40
HTT P42858 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 3/20 0.39
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 3/20 0.38

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
SCHEMBL3975267 0.89 LMNA (0.42) HPGDKDM4EMAPTLMNAHTT
SCHEMBL3865210 0.88 HTT (0.46) HPGDKDM4EMAPTLMNAHTT
SCHEMBL3982491 0.85 MAPK14 (0.43) HPGDKDM4EMAPTLMNAHTT
SCHEMBL3975372 0.79 MAPK14 (0.44) HPGDKDM4EMAPTLMNAHTT
SCHEMBL3974223 0.76 MEN1 (0.49) MAPTLMNAHTTL3MBTL1NPSR1
SCHEMBL3977174 0.75 NPSR1 (0.44) HPGDKDM4ENPSR1SMN1; SMN2MEN1
SCHEMBL3971185 0.75 MAPK14 (0.48) HPGDKDM4EMAPTLMNAHTT
SCHEMBL3974457 0.74 HTT (0.45) HPGDKDM4EMAPTLMNAHTT
SCHEMBL3973588 0.74 MAPK14 (0.56) MAPTLMNAHTTL3MBTL1MAPK13
SCHEMBL3980494 0.74 MAPK14 (0.59) MAPTLMNAHTTL3MBTL1MAPK13

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 HPGD 700/4885KDM4E 3885/4885MAPT 3713/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP HPGD 700/4885KDM4E 3885/4885MAPT 3713/4885

“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.