SCHEMBL3981585

SCHEMBL3981585

Cc1cccc(C)c1-n1nc(CCC(F)(F)F)cc1Nc1ncccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 2/20 0.46
CYP1A2 P05177 2/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GMNN O75496 1/20 0.46
TTR P02766 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
UGT1A1 P22309 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PMP22 Q01453 1/20 0.46
TEAD4 Q15561 1/20 0.46

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
SCHEMBL3973612 0.82 LMNA (0.50) DHODHHDAC6LMNAGAAMEN1
SCHEMBL3974760 0.80 LMNA (0.47) DHODHHDAC6LMNAGAAMEN1
SCHEMBL5012045 0.79 ADORA1 (0.47) DHODHLMNAMEN1KMT2AMAPT
SCHEMBL3974223 0.75 MEN1 (0.49) DHODHHDAC6LMNAGAAMEN1
SCHEMBL3860009 0.74 MEN1 (0.48) DHODHHDAC6LMNAGAAMEN1
SCHEMBL3972382 0.73 MEN1 (0.46) DHODHHDAC6LMNAGAAMEN1
SCHEMBL3977204 0.73 KDM4C (0.35) LMNAMEN1KMT2AALDH1A1NPC1
SCHEMBL3980200 0.72 DHODH (0.50) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3976802 0.71 MEN1 (0.47) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3977968 0.71 MEN1 (0.47) DHODHLMNAGAAMEN1KMT2A

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 DHODH 3112/4885HDAC6 512/4885LMNA 3423/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP DHODH 3112/4885HDAC6 512/4885LMNA 3423/4885

“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.