SCHEMBL5209337

SCHEMBL5209337

O=C(Cc1cccc(Cl)n1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.46
PLOD2 O00469 2/20 0.46
PLOD3 O60568 2/20 0.46
PLOD1 Q02809 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
TYK2 P29597 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAPRT Q6XQN6 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL5212307 0.83 PLOD2 (0.50) RAB9ANPC1ALDH1A1PLOD2PLOD3
SCHEMBL5455921 0.83 RAB9A (0.48) RAB9ANPC1ALDH1A1CYP3A4CYP2D6
SCHEMBL5349959 0.83 RAB9A (0.59) RAB9ANPC1ALDH1A1PLOD2HPGD
SCHEMBL5354267 0.79 HDAC3 (0.47) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL5215255 0.78 GPBAR1 (0.36) RAB9AALDH1A1PLOD2PLOD3PLOD1
SCHEMBL19203282 0.78 CA12 (0.43) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL5943286 0.77 PARP1 (0.44) RAB9ANPC1ALDH1A1HPGDL3MBTL1
SCHEMBL5943201 0.77 SMN1; SMN2 (0.46) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL868262 0.75 AKR1B1 (0.48) ALDH1A1CYP3A4HPGDSMN1; SMN2KDM4E
SCHEMBL29781424 0.75 AKR1B1 (0.48) ALDH1A1CYP3A4HPGDSMN1; SMN2KDM4E

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
EP-1453830-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-12 EP disclosed
US-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents GUDMUNDSSON KRISTJAN 2007-07-12 US disclosed
US-7199120-B2 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION 2004-12-09 US disclosed
EP-1453830-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SmithKline Beecham Corporation (US) 2004-09-08 EP disclosed
WO-2003050120-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-19 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 (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-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents HRH4, HRH2, HRH1 RAB9A 2498/4885NPC1 2064/4885ALDH1A1 164/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 RAB9A 2596/4885NPC1 1780/4885ALDH1A1 132/4885

“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.