SCHEMBL3973229

SCHEMBL3973229

Cc1cc(Nc2ncccc2C(N)=O)n(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.54
GAA P10253 5/20 0.53
HPGD P15428 4/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
AHR P35869 1/20 0.52
KMT2A Q03164 1/20 0.52
GFER P55789 2/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
KCNJ6 P48051 1/20 0.50
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3978991 0.91 GFER (0.57) NTRK1GAAHPGDMAPK1SMN1; SMN2
SCHEMBL6341341 0.79 MEN1 (0.54) NTRK1GAAHPGDMAPK1MAPT
SCHEMBL3973559 0.76 MAP4K2 (0.50) NTRK1HPGDMAPK1SMN1; SMN2MAPT
SCHEMBL5008476 0.76 GFER (0.64) NTRK1GAAHPGDMAPK1SMN1; SMN2
SCHEMBL5008346 0.75 GFER (0.80) NTRK1GAAHPGDMAPK1SMN1; SMN2
SCHEMBL3980152 0.75 MAPK14 (0.56) NTRK1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL5010593 0.74 GFER (0.61) NTRK1GAAHPGDMAPK1SMN1; SMN2
SCHEMBL13975495 0.74 NTRK1 (0.78) NTRK1GAAHPGDMAPK1MAPT
SCHEMBL13869002 0.74 LMNA (0.56) GAAMAPK1SMN1; SMN2MAPTRAB9A
SCHEMBL5005273 0.73 GFER (0.82) NTRK1GAAHPGDMAPK1MAPT

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 NTRK1 4524/4885GAA 369/4885HPGD 700/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP NTRK1 4524/4885GAA 369/4885HPGD 700/4885

“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.