SCHEMBL6806341

SCHEMBL6806341

CCc1c(N)c(C(N)=O)nn1Cc1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.38
CYP1A2 P05177 1/20 0.37
GRIN1 Q05586 13/20 0.34
GRIN2B Q13224 13/20 0.34
P2RX7 Q99572 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
LCK P06239 1/20 0.31
MAP2K3 P46734 1/20 0.31
MAP2K6 P52564 1/20 0.31
BTK Q06187 1/20 0.31
MAP3K19 Q56UN5 1/20 0.31
NEK10 Q6ZWH5 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL6441740 0.91 CTDSP1 (0.36) CTDSP1CYP1A2GRIN1GRIN2BP2RX7
SCHEMBL5827229 0.84 ADRA1D (0.40)
SCHEMBL6448402 0.83 CTDSP1 (0.37) CTDSP1CYP1A2GRIN1GRIN2BBRD4
SCHEMBL6442051 0.78 PTGDR2 (0.46) CYP1A2
SCHEMBL6805497 0.78 CTDSP1 (0.38) CTDSP1CYP1A2GRIN1GRIN2BP2RX7
SCHEMBL6444533 0.77 SMN1; SMN2 (0.39) CTDSP1CYP1A2GRIN1GRIN2B
SCHEMBL6200427 0.75 USP2 (0.42)
SCHEMBL6443736 0.74 NPC1 (0.33) LCK
SCHEMBL6450553 0.72 PDE5A (0.39)
SCHEMBL6444199 0.69 SMN1; SMN2 (0.43) CTDSP1CYP1A2GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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 (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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A CTDSP1 1555/4885CYP1A2 429/4885GRIN1 1047/4885

“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.