SCHEMBL4411526

SCHEMBL4411526

COc1cccc(C)c1NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.39

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
SCHEMBL31648930 0.80 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL18133119 0.79 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL4404651 0.74 KMT2A (0.52) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL3897223 0.73 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL23817280 0.72 NPC1 (0.57) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL2245329 0.72 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL5451202 0.71 ALDH1A1 (0.58) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL11664862 0.70 TAAR1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL15883199 0.70 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL18171997 0.70 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2LMNAMEN1

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 ALDH1A1 943/4885HTT 2240/4885SMN1; SMN2 4413/4885

“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.