SCHEMBL3975609

SCHEMBL3975609

Cc1ccc(C)c(-n2nc(C(C)(C)C)cc2Nc2ncccc2C(=O)N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
MAPK14 Q16539 10/20 0.41
MAPK13 O15264 4/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
SRC P12931 2/20 0.41
MAPK9 P45984 2/20 0.41
SYK P43405 1/20 0.41
GSK3A P49840 1/20 0.41
CIT O14578 1/20 0.40
MUSK O15146 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40

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
SCHEMBL3979286 0.84 LMNA (0.51) MEN1KMT2AMAPTMAPK14MAPK13
SCHEMBL3974247 0.84 RAB9A (0.52) SMN1; SMN2ALDH1A1MAPTMAPK14MAPK13
SCHEMBL3974469 0.83 MAPK14 (0.46) SMN1; SMN2MEN1KMT2AMAPTMAPK14
SCHEMBL3972985 0.82 MAPK14 (0.45) SMN1; SMN2MAPTMAPK14MAPK13MAPK12
SCHEMBL3864506 0.77 MAPK14 (0.48) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL3978596 0.77 LMNA (0.49) SMN1; SMN2ALDH1A1MAPTHTTMAPK14
SCHEMBL3980152 0.76 MAPK14 (0.56) SMN1; SMN2ALDH1A1MAPTHTTMAPK14
SCHEMBL3976033 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3976410 0.75 LMNA (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4084990 0.75 MAPK14 (0.43) ALDH1A1MEN1KMT2AKDM4EHTT

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 SMN1; SMN2 4413/4885ALDH1A1 943/4885MEN1 3766/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP SMN1; SMN2 4413/4885ALDH1A1 943/4885MEN1 3766/4885

“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.