SCHEMBL3979309

SCHEMBL3979309

CSc1ncc(Nc2cc(-c3ccccc3)nn2-c2ccccc2C)c(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
RXFP1 Q9HBX9 3/20 0.42
NTRK1 P04629 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
ADORA1 P30542 2/20 0.38
GRM5 P41594 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL3976160 0.84 LMNA (0.38) MAPTRXFP1NTRK1ALDH1A1NPC1
SCHEMBL5011993 0.78 ADORA1 (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4411488 0.77 MAPK14 (0.44) MEN1KMT2ALMNATHRB
SCHEMBL4401160 0.76 MAPK14 (0.42) MAPTRXFP1NTRK1NPC1MEN1
SCHEMBL5008775 0.75 ADORA1 (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3975073 0.75 TP53 (0.43) NTRK1ALDH1A1LMNATP53
SCHEMBL3974125 0.74 ALDH1A1 (0.46) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL5008516 0.74 MAPT (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3979697 0.73 ADORA1 (0.50) MAPTALDH1A1L3MBTL1POLBADORA1
SCHEMBL5008734 0.73 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A

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 MAPT 3713/4885RXFP1 3682/4885NTRK1 4524/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP MAPT 3713/4885RXFP1 3682/4885NTRK1 4524/4885

“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.