SCHEMBL5379828

SCHEMBL5379828

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 4/20 0.55
HTR1A P08908 3/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 3/20 0.48
DRD3 P35462 3/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A4 P31645 2/20 0.45
TP53 P04637 1/20 0.44
VNN1 O95497 1/20 0.44
PTPN1 P18031 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9661934 0.87 RAB9A (0.66) RAB9ANPC1HTR7KMT2ALMNA
SCHEMBL27382125 0.85 DRD2 (0.52) RAB9ANPC1HTR1ADRD2DRD4
SCHEMBL8296360 0.81 RAB9A (0.50) RAB9ANPC1HTR1ADRD2DRD4
SCHEMBL6596144 0.79 SIGMAR1 (0.47) RAB9ANPC1HTR1ADRD2DRD4
SCHEMBL3195037 0.79 RAB9A (0.56) RAB9ANPC1KMT2AVNN1PTPN1
SCHEMBL5386743 0.79 SIGMAR1 (0.47) RAB9ANPC1HTR1ADRD2DRD4
SCHEMBL5389876 0.78 RAB9A (0.55) RAB9ANPC1VNN1PTPN1L3MBTL1
SCHEMBL8298172 0.78 RAB9A (0.55) RAB9ANPC1KMT2APTPN1L3MBTL1
SCHEMBL5214600 0.77 RAB9A (0.61) RAB9ANPC1DRD2HTR7KMT2A
Acetic Acid SCHEMBL7844892 0.76 SIGMAR1 (0.41) RAB9ANPC1HTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 EP claimed
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
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 US disclosed
US-5324837-A 3,4-disubstituted-4,5-dihydro-1H-pyrazoles and a method of preparation DOWELANCO (US) 1994-06-28 US disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 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 (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 RAB9A 661/4885NPC1 3076/4885HTR1A 2278/4885

“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.