SCHEMBL6344753

SCHEMBL6344753

Cc1cc(Nc2cc(F)c(Cl)cc2C(=O)O)n(-c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.46
GFER P55789 2/20 0.45
FTO Q9C0B1 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
MAPK14 Q16539 1/20 0.41
NTRK1 P04629 2/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
MALT1 Q9UDY8 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
SCHEMBL6342656 0.96 KMT2A (0.53) KMT2AMEN1LMNAPKMGFER
SCHEMBL6344686 0.92 KMT2A (0.53) KMT2AMEN1LMNAPKMGFER
SCHEMBL6341582 0.92 KMT2A (0.56) KMT2AMEN1LMNAPKMGFER
SCHEMBL6343392 0.85 KMT2A (0.61) KMT2AMEN1LMNAPKMGFER
SCHEMBL6340206 0.83 GFER (0.62) KMT2AMEN1LMNAPKMGFER
SCHEMBL6343631 0.82 MEN1 (0.52) KMT2AMEN1LMNAPKMGFER
SCHEMBL6344823 0.82 GFER (0.53) KMT2AMEN1LMNAPKMGFER
SCHEMBL6345124 0.81 MEN1 (0.56) KMT2AMEN1LMNAPKMGFER
SCHEMBL6342502 0.81 KMT2A (0.55) KMT2AMEN1LMNAPKMGFER
SCHEMBL6344744 0.80 MEN1 (0.53) KMT2AMEN1LMNAPKMGFER

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 KMT2A 4423/4885MEN1 4642/4885LMNA 2421/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 KMT2A 3347/4885MEN1 4422/4885LMNA 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.