SCHEMBL3975150

SCHEMBL3975150

CCOC(=O)c1cccnc1Nc1cc(-c2ccc(F)cc2)nn1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 2/20 0.44
RECQL P46063 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 8/20 0.41
MAPT P10636 3/20 0.41
DNMT1 P26358 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HPGD P15428 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 3/20 0.40

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
SCHEMBL3889353 0.91 TDP1 (0.43) HTTTDP1POLBAPEX1RECQL
SCHEMBL13752285 0.91 HTT (0.40) HTTTDP1POLBAPEX1RECQL
SCHEMBL3979966 0.89 L3MBTL1 (0.47) HTTTDP1POLBAPEX1RECQL
SCHEMBL3973042 0.88 DHODH (0.51) POLBMAPTNPC1RAB9AADORA1
SCHEMBL4248560 0.87 MAP4K2 (0.47) HTTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL3974880 0.86 MAPT (0.42) POLBALDH1A1KDM4EMAPTNPC1
SCHEMBL3974457 0.82 HTT (0.45) HTTTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3976033 0.81 ALDH1A1 (0.53) HTTTDP1POLBAPEX1RECQL
SCHEMBL3861500 0.81 DHODH (0.50) POLBALDH1A1KDM4EMAPTNPC1
SCHEMBL3865210 0.81 HTT (0.46) HTTPOLBL3MBTL1ALDH1A1SMN1; 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 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 HTT 2240/4885TDP1 3743/4885POLB 3716/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP HTT 2240/4885TDP1 3743/4885POLB 3716/4885

“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.