SCHEMBL5208366

SCHEMBL5208366

Clc1cccc2cc(-c3cccnc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.44
CYP2A6 P11509 7/20 0.43
CYP2E1 P05181 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALK Q9UM73 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
DYRK3 O43781 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
USP8 P40818 1/20 0.40

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
SCHEMBL5213490 0.83 MAPK14 (0.43) FYN
SCHEMBL31727299 0.82 USP8 (0.49) FYNCYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL6106796 0.77 KDM4E (0.52) ALDH1A1
SCHEMBL6106706 0.77 RAB9A (0.49) ALDH1A1
SCHEMBL28574445 0.73 CYP2A6 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL14821696 0.72 CYP19A1 (0.51) FYNCYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL31024147 0.72 CYP19A1 (0.51) FYNCYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL31692761 0.72 CYP19A1 (0.44) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL5210473 0.68 PTGS1 (0.46) ALDH1A1
SCHEMBL5943291 0.67 MAPT (0.44) FYNALDH1A1

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 4 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

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 FYN 2956/4885CYP2A6 63/4885CYP2E1 11/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 FYN 2905/4885CYP2A6 62/4885CYP2E1 7/4885

“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.