SCHEMBL6344744

SCHEMBL6344744

Cc1cc(Nc2ccc(C(F)(F)F)cc2C(=O)O)n(-c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
TAS2R14 Q9NYV8 3/20 0.48
PKM P14618 1/20 0.48
GFER P55789 1/20 0.47
MAPT P10636 2/20 0.46
SORT1 Q99523 3/20 0.44
DHODH Q02127 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NTRK1 P04629 1/20 0.41
MPO P05164 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
SCHEMBL6343631 0.86 MEN1 (0.52) MEN1KMT2ALMNAPKMGFER
SCHEMBL6345124 0.85 MEN1 (0.56) MEN1KMT2ALMNAPKMGFER
SCHEMBL6340206 0.85 GFER (0.62) MEN1KMT2ALMNAPKMGFER
SCHEMBL6341582 0.83 KMT2A (0.56) MEN1KMT2ALMNAPKMGFER
SCHEMBL6341254 0.83 KMT2A (0.48) MEN1KMT2ALMNAPKMGFER
SCHEMBL6341693 0.83 GFER (0.63) MEN1KMT2ALMNAPKMGFER
SCHEMBL6344686 0.81 KMT2A (0.53) MEN1KMT2ALMNAPKMGFER
SCHEMBL6339758 0.81 MAPT (0.64) MEN1KMT2ALMNAPKMGFER
SCHEMBL6343392 0.81 KMT2A (0.61) MEN1KMT2ALMNAPKMGFER
SCHEMBL6344753 0.80 KMT2A (0.53) MEN1KMT2ALMNAPKMGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20040097539-A1 To decreases a tissue disorder caused by a compound having cyclooxygenase inhibiting activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1380296-A1 HSP INDUCTOR Takeda Chemical Industries, Ltd. (JP) 2004-01-14 EP disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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-20040097539-A1 To decreases a tissue disorder caused by a compound having cyclooxygenase inhibiting activity HSPB1, HSPA1B, HSP90AB1 MEN1 4642/4885KMT2A 4423/4885LMNA 2421/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 MEN1 4422/4885KMT2A 3347/4885LMNA 4847/4885

“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.