SCHEMBL4404651

SCHEMBL4404651

COc1ccc(C)cc1NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.52
MEN1 O00255 9/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL24916802 0.85 MAPT (0.52) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18133119 0.84 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31648930 0.79 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2245329 0.77 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL528361 0.76 HDAC1 (0.70) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4411526 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL935280 0.72 CTSL (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3897223 0.72 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23118466 0.72 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31213412 0.71 SMN1; SMN2 (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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 5 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

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-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP KMT2A 3923/4885MEN1 3766/4885ALDH1A1 943/4885

“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.