SCHEMBL3979966

SCHEMBL3979966

CCOC(=O)c1cccnc1Nc1cc(-c2ccc(F)cc2)nn1-c1cc(OC)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA1 P30542 1/20 0.41
DHODH Q02127 3/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FAAH O00519 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL13752285 0.90 HTT (0.40) L3MBTL1POLBAPEX1RECQLCTDSP1
SCHEMBL3860494 0.90 HTT (0.50) L3MBTL1POLBAPEX1RECQLCTDSP1
SCHEMBL3975150 0.89 HTT (0.44) L3MBTL1POLBAPEX1RECQLCTDSP1
SCHEMBL3889353 0.84 TDP1 (0.43) L3MBTL1POLBAPEX1RECQLCTDSP1
SCHEMBL3980704 0.83 MAPK14 (0.43) HTTMEN1PKMMAPK1KMT2A
SCHEMBL3977218 0.81 DHODH (0.50) DHODHMAPTHTTMEN1PKM
SCHEMBL3974452 0.80 LMNA (0.48) DHODHMAPTHTTMEN1MAPK1
SCHEMBL3861464 0.80 DHODH (0.48) DHODHMAPTHTTMEN1PKM
SCHEMBL3979999 0.79 RAB9A (0.47) DHODHMAPTHTTMEN1MAPK1
SCHEMBL13885560 0.78 MEN1 (0.45) L3MBTL1ADORA1MAPTHTTMEN1

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 4 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-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 L3MBTL1 4773/4885POLB 3716/4885APEX1 3593/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP L3MBTL1 4773/4885POLB 3716/4885APEX1 3593/4885

“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.