SCHEMBL5219244

SCHEMBL5219244

Fc1ccc(-c2cc3cc(Cl)ccn3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.37
SCN4A P35499 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP2 O95551 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
MARS1 P56192 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
PSD A5PKW4 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2033721 0.81 AHR (0.40) CYP19A1MAPTSCN4ANPC1RAB9A
SCHEMBL5214295 0.80 AURKA (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5390819 0.77 MAPK14 (0.45) DHODHMAPTNPC1RAB9AMEN1
SCHEMBL4872294 0.77 HRH3 (0.49) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL23998385 0.74 CYP19A1 (0.41) DHODHCYP19A1MAPTSCN4ANPC1
SCHEMBL2030860 0.74 KMT2A (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31692761 0.74 CYP19A1 (0.44) CYP19A1MEN1KMT2ATDP2MARS1
SCHEMBL2035074 0.71 PI4KB (0.40) SCN4ASMN1; SMN2TDP2
SCHEMBL10475879 0.71 NR4A2 (0.37) DHODHNPC1RAB9AMEN1KMT2A
SCHEMBL2029895 0.71 LIPG (0.51) CYP19A1MAPTSCN4ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
US-7030134-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-18 US disclosed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 US disclosed
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 US disclosed
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds GUDMUNDSSON KRISTJAN (US) 2005-09-01 US disclosed
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP disclosed
US-6919352-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-07-19 US disclosed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 US disclosed
US-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 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 (5 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-20040142941-A1 Therapeutic compounds PCSK9, ABCB1, ABCB11 DHODH 1073/4885CYP19A1 352/4885MAPT 712/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 DHODH 386/4885CYP19A1 1250/4885MAPT 2152/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 DHODH 452/4885CYP19A1 4592/4885MAPT 3435/4885
US-20040072853-A1 Therapeutic compounds PCSK9, ABCB1, FURIN DHODH 943/4885CYP19A1 231/4885MAPT 797/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 DHODH 154/4885CYP19A1 1000/4885MAPT 1657/4885

“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.