SCHEMBL3973026

SCHEMBL3973026

CCC(C)(C)c1cc(Nc2ncccc2C(=O)O)n(-c2cccc(F)c2OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.44
HTT P42858 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3975037 0.91 MAPK13 (0.37) DHODHMAPK13MAPK12MAPK11MAPK14
SCHEMBL3972193 0.86 DHODH (0.48) DHODHHTTMEN1KMT2APKM
SCHEMBL3974138 0.86 MEN1 (0.48) DHODHHTTMEN1KMT2APKM
SCHEMBL3974174 0.85 HTT (0.46) DHODHHTTMEN1KMT2APKM
SCHEMBL3982024 0.85 MAPK13 (0.48) DHODHHTTMEN1KMT2APKM
SCHEMBL3974739 0.83 MAPK14 (0.48) DHODHHTTMEN1KMT2ANPC1
SCHEMBL3982040 0.83 RIPK1 (0.45) DHODHMEN1KMT2AALDH1A1MAPK13
SCHEMBL3975446 0.82 LMNA (0.41) DHODHHTTMEN1KMT2APKM
SCHEMBL3860938 0.82 LMNA (0.44) DHODHHTTMEN1KMT2APKM
SCHEMBL3972382 0.80 MEN1 (0.46) DHODHHTTMEN1KMT2APKM

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 DHODH 3112/4885HTT 2240/4885MEN1 3766/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP DHODH 3112/4885HTT 2240/4885MEN1 3766/4885

“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.