SCHEMBL5386743

SCHEMBL5386743

ON=C(Cc1ccc(Cl)cn1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
TMEM97 Q5BJF2 3/20 0.47
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
VNN1 O95497 1/20 0.36
DRD4 P21917 5/20 0.36
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR7 P34969 3/20 0.36
DRD3 P35462 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL6596144 1.00 SIGMAR1 (0.47) SIGMAR1TMEM97RAB9ALMNAKMT2A
Acetic Acid SCHEMBL7844892 0.90 SIGMAR1 (0.41) SIGMAR1TMEM97RAB9ALMNAKMT2A
Acetic Acid SCHEMBL7844895 0.90 SIGMAR1 (0.41) SIGMAR1TMEM97RAB9ALMNAKMT2A
SCHEMBL3186276 0.80 VNN1 (0.39) RAB9ALMNAKMT2ASMN1; SMN2VNN1
SCHEMBL3186266 0.80 VNN1 (0.39) RAB9ALMNAKMT2ASMN1; SMN2VNN1
SCHEMBL5379828 0.79 RAB9A (0.59) SIGMAR1TMEM97RAB9ALMNAKMT2A
SCHEMBL5219714 0.78 RAB9A (0.38) SIGMAR1TMEM97RAB9ALMNAKMT2A
SCHEMBL5219709 0.78 RAB9A (0.38) SIGMAR1TMEM97RAB9ALMNAKMT2A
SCHEMBL6592342 0.76 RAB9A (0.63) SIGMAR1TMEM97RAB9ALMNAKMT2A
SCHEMBL6592336 0.76 RAB9A (0.63) SIGMAR1TMEM97RAB9ALMNAKMT2A

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
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1157025-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2004-03-10 EP disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
US-6498166-B1 POTENT AND SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2; TREATING PAIN, FEVER AND INFLAMMATION SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 WO disclosed
EP-1157025-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2001-11-28 EP disclosed
WO-2000052008-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2000-09-08 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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 SIGMAR1 2720/4885TMEM97 2785/4885RAB9A 661/4885

“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.