SCHEMBL13927697

SCHEMBL13927697

C=Cc1nn(C)c2cc(F)c(C(=O)OC)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ NR4A2 P43354 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SCN5A Q14524 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL13927673 0.80 KMT2A (0.38) SCN9AKMT2ANR4A2NPC1PKM
SCHEMBL4144645 0.79 MAPK1 (0.38) KMT2ANR4A2PKMFGFR1FGFR4
SCHEMBL13927695 0.77 NR4A2 (0.41) NR4A2NPC1MAPTLMNAALDH1A1
SCHEMBL27273009 0.76 MAPT (0.42) KMT2ANPC1FGFR1MAPTLMNA
SCHEMBL30159604 0.76 ALDH1A1 (0.40) KMT2ANPC1PKMFGFR1MAPT
SCHEMBL23535689 0.76 ALDH1A1 (0.40) KMT2ANPC1PKMFGFR1MAPT
SCHEMBL30987660 0.76 MAPT (0.42) KMT2ANPC1FGFR1MAPTLMNA
SCHEMBL22506623 0.71 ELANE (0.41) KMT2ANPC1PKMNPSR1ALDH1A1
SCHEMBL30599793 0.71 ELANE (0.41) KMT2ANPC1PKMNPSR1ALDH1A1
SCHEMBL17673835 0.71 LSS (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 — — US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 — — 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 (1 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SCN9A 2431/4885KMT2A 810/4885NR4A2 85/4885

“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.

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