Sugi Predict

Sugi Predict / Compounds / SCHEMBL3976185

SCHEMBL3976185

SCHEMBL3976185

CCC(C)(C)c1cc(Nc2ncccc2C(=O)NC)n(-c2cc(OC)ccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ RIPK1 Q13546 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DHODH Q02127 4/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NR1I2 O75469 1/20 0.37

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
SCHEMBL3972193 0.92 DHODH (0.48) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3980491 0.92 RIPK1 (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13752292 0.83 DHODH (0.51) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL3973026 0.78 DHODH (0.44) MEN1KMT2AALDH1A1LMNADHODH
SCHEMBL3982040 0.78 RIPK1 (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3975037 0.76 MAPK13 (0.37) DHODHMAPK11MAPK14MAPK13MAPK12
SCHEMBL3974138 0.76 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3982024 0.74 MAPK13 (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3975446 0.74 LMNA (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3974174 0.74 HTT (0.46) MEN1KMT2AMAPTALDH1A1GAA

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 6 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-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 MEN1 3766/4885KMT2A 3923/4885MAPT 3713/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP MEN1 3766/4885KMT2A 3923/4885MAPT 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.