SCHEMBL1166523

SCHEMBL1166523

CC(F)(F)c1ccc(Cn2cc(N)cn2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.32
KCNH2 Q12809 3/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KLKB1 P03952 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
SCHEMBL1166788 0.78 LMNA (0.57) LMNAMAPTALDH1A1PKMMEN1
SCHEMBL1167652 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AGRIN2B
SCHEMBL1704113 0.75 GRIN1 (0.34) GRIN2B
SCHEMBL1167385 0.73 SMN1; SMN2 (0.42) LMNAMAPTALDH1A1PKMMEN1
SCHEMBL1167387 0.73 SMN1; SMN2 (0.42) LMNAMAPTALDH1A1PKMMEN1
SCHEMBL23036774 0.72 ALDH1A1 (0.38) LMNAMAPTALDH1A1PKMMEN1
SCHEMBL2818616 0.72 LMNA (0.48) LMNAMAPTALDH1A1PKMMEN1
SCHEMBL1167800 0.72 LMNA (0.41) LMNAMAPTALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL21492598 0.71 ALDH1A1 (0.37) LMNAMAPTALDH1A1PKMMEN1
Hydrochloric Acid SCHEMBL28522403 0.70 TAS2R8 (0.44) LMNAMAPTALDH1A1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP claimed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 LMNA 4005/4885MAPT 2198/4885ALDH1A1 96/4885

“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.