SCHEMBL3980200

SCHEMBL3980200

COc1cccc(C)c1-n1nc(-c2ccc(F)cc2)cc1Nc1ncccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.50
MEN1 O00255 3/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
ADORA1 P30542 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
SCHEMBL3977196 0.88 ADORA1 (0.40) DHODHNPC1RAB9AMAPTADORA1
SCHEMBL3977217 0.85 DHODH (0.47) DHODHMEN1HTTKMT2APKM
SCHEMBL13759825 0.85 NPC1 (0.38) DHODHMEN1KMT2AGAANPC1
SCHEMBL3973042 0.84 DHODH (0.51) DHODHMEN1KMT2ALMNAGAA
SCHEMBL3860494 0.83 HTT (0.50) DHODHMEN1HTTKMT2APKM
SCHEMBL3860009 0.83 MEN1 (0.48) DHODHMEN1HTTKMT2APKM
SCHEMBL3977218 0.83 DHODH (0.50) DHODHMEN1HTTKMT2APKM
SCHEMBL3972382 0.82 MEN1 (0.46) DHODHMEN1HTTKMT2APKM
SCHEMBL3976802 0.81 MEN1 (0.47) DHODHMEN1HTTKMT2APKM
SCHEMBL3977968 0.81 MEN1 (0.47) DHODHMEN1HTTKMT2APKM

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

“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.