SCHEMBL5313274

SCHEMBL5313274

Clc1cccc2cc(-c3ccc(Br)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
GAA P10253 2/20 0.41
GALR3 O60755 1/20 0.41
NPY1R P25929 1/20 0.41
STAT3 P40763 1/20 0.41
NPY2R P49146 1/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
HCRTR1 O43613 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL6106706 0.86 RAB9A (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6107645 0.80 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5943291 0.78 MAPT (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6106796 0.76 KDM4E (0.52) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5208366 0.75 FYN (0.44) ALDH1A1
SCHEMBL18751063 0.73 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6105830 0.73 FYN (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13263739 0.71 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5210473 0.70 PTGS1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4152126 0.69 MAPT (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 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 (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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 MAPT 1659/4885MEN1 1762/4885KMT2A 3949/4885
US-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 MAPT 696/4885MEN1 464/4885KMT2A 4598/4885

“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.