SCHEMBL3869368

SCHEMBL3869368

CN(c1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.79
ADORA1 P30542 12/20 0.70
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL8245876 0.88 ADORA2A (1.00) ADORA2AADORA1TSHRKDM4EMEN1
SCHEMBL3869262 0.82 ADORA2A (1.00) ADORA2AADORA1TSHRADORA3
SCHEMBL3869221 0.81 ADORA2A (1.00) ADORA2AADORA1TSHRPOLB
SCHEMBL16440392 0.79 ADORA2A (0.73) ADORA2AADORA1TSHRKDM4EMEN1
SCHEMBL3878528 0.77 ADORA2A (1.00) ADORA2AADORA1TSHR
SCHEMBL3869046 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL1256076 0.77 ADORA2A (0.69) ADORA2AADORA1TSHRKDM4EMEN1
SCHEMBL16437807 0.76 ADORA2A (0.68) ADORA2AADORA1TSHRKDM4EMEN1
SCHEMBL3873992 0.75 ADORA2A (1.00) ADORA2AADORA1TSHRADORA3
SCHEMBL1256007 0.75 ADORA2A (0.77) ADORA2AADORA1ADORA3

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-20090005568-A1 Substituted 2-aminothiazoles for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-01 US disclosed
WO-2007022415-A2 SUBSTITUTED 2-AMINOTHIAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 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 (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-20090005568-A1 Substituted 2-aminothiazoles for treating neurodegenerative diseases ADORA2A, ADORA1, PARK7 ADORA2A 1/4885ADORA1 2/4885TSHR 597/4885

“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.