SCHEMBL3976033

SCHEMBL3976033

Cc1ccccc1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.44
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
PLAUR Q03405 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
SMO Q99835 1/20 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
SCHEMBL3973042 0.85 DHODH (0.51) MAPTLMNAMEN1KMT2APOLB
SCHEMBL4248560 0.84 MAP4K2 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL3974880 0.84 MAPT (0.42) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL3975150 0.81 HTT (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL3861500 0.78 DHODH (0.50) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL3977218 0.78 DHODH (0.50) MAPTHTTLMNAMEN1MAPK1
SCHEMBL3974452 0.77 LMNA (0.48) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL3973559 0.77 MAP4K2 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL3861464 0.77 DHODH (0.48) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL3975999 0.76 ADORA1 (0.47) ALDH1A1KDM4EMAPTLMNAPOLB

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 ALDH1A1 943/4885SMN1; SMN2 4413/4885KDM4E 3885/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP ALDH1A1 943/4885SMN1; SMN2 4413/4885KDM4E 3885/4885

“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.