SCHEMBL3859778

SCHEMBL3859778

Cc1ccc(C)c(-n2nc(-c3ccccc3)cc2Nc2ncccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.46
DHODH Q02127 3/20 0.45
ALDH1A1 P00352 1/20 0.45
NTRK1 P04629 1/20 0.44
CLCN2 P51788 1/20 0.44
GRM5 P41594 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3861464 0.92 DHODH (0.48) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3861500 0.91 DHODH (0.50) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3974462 0.90 DHODH (0.48) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3977218 0.86 DHODH (0.50) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3863281 0.86 MAPT (0.44) LMNAGAAMAPTMEN1KMT2A
SCHEMBL5010620 0.85 MAPT (0.51) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3979286 0.85 LMNA (0.51) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3977181 0.84 LMNA (0.48) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3973042 0.84 DHODH (0.51) LMNAGAAMAPTMEN1KMT2A
SCHEMBL3979999 0.84 RAB9A (0.47) LMNAMAPTMEN1KMT2ANPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720863-A4 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORP (US) 2009-04-22 EP claimed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US claimed
JP-2007525513-A 2007-09-06 JP claimed
EP-1720863-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2006-11-15 EP claimed
WO-2005086656-A2 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-22 WO claimed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 US claimed
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 LMNA 3423/4885GAA 369/4885MAPT 3713/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP LMNA 3423/4885GAA 369/4885MAPT 3713/4885

“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.