SCHEMBL29972774

SCHEMBL29972774

Cn1nnc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
GRM5 P41594 13/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46

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
SCHEMBL3585013 1.00 TP53 (0.55) TP53GRM5KDM4ETDP1LMNA
SCHEMBL3585009 0.81 TP53 (0.55) TP53GRM5KDM4ETDP1LMNA
SCHEMBL3582828 0.78 PPARA (0.41)
SCHEMBL14350435 0.77 HDAC6 (0.53) TP53GRM5LMNA
SCHEMBL4702208 0.75 GRM5 (0.58) TP53GRM5
SCHEMBL4699251 0.75 GRM5 (0.76) GRM5
SCHEMBL27810667 0.75 HDAC6 (0.51) TP53GRM5
SCHEMBL3591846 0.74 PPARA (0.42) GRM5KDM4ETDP1CYP1A2
SCHEMBL8117268 0.73 MAOA (0.44)
SCHEMBL46305 0.73 CCR1 (0.52) TP53GRM5KDM4ECCR1CCR5

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 US disclosed
CN-114845778-A Dihydrocyclopentaisoquinoline sulfonamide derivative compound UCB生物制药有限责任公司 2022-08-02 CN 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B TP53 4505/4885GRM5 580/4885KDM4E 4613/4885

“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.