SCHEMBL5774774

SCHEMBL5774774

c1cc2c(nc1CN1C[C@@H]3C[C@H]1CO3)CCNC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
PDE7B Q9NP56 4/20 0.32
METTL3 Q86U44 1/20 0.31
CYP3A4 P08684 1/20 0.30
BRAF P15056 1/20 0.30
HTR2C P28335 1/20 0.30
CDK4 P11802 1/20 0.30
FLT3 P36888 1/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL6808938 0.70 CXCR4 (0.53) CYP3A4HTR2C
SCHEMBL29549874 0.67 CYP3A4 (0.44) CYP3A4HTR2C
SCHEMBL16217182 0.67 CYP3A4 (0.41) CYP3A4HTR2C
SCHEMBL23530014 0.67 CYP3A4 (0.44) CYP3A4HTR2C
SCHEMBL23243011 0.67 PDE1B (0.36) PDE10AJAK2JAK1TLR7METTL3
SCHEMBL23263472 0.67 PDE1B (0.36) PDE10AJAK2JAK1TLR7METTL3
Hydrochloric Acid SCHEMBL2913328 0.64 HTR2C (0.40) CYP3A4HTR2C
SCHEMBL16168344 0.64 HTR2C (0.44) CYP3A4HTR2CCDK4
SCHEMBL5776366 0.64 CYP3A4 (0.38) CYP3A4HTR2C
Hydrochloric Acid SCHEMBL2912094 0.63 HTR2C (0.43) CYP3A4HTR2CCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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 (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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 PDE10A 854/4885JAK2 3898/4885JAK1 3415/4885

“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.