SCHEMBL3280779

SCHEMBL3280779

CSc1nc(Cl)cc(NC(C)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.56
ADORA2A P29274 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA1 P30542 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTK2 Q05397 1/20 0.40
PPARA Q07869 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
SCHEMBL16302718 0.81 ADORA3 (0.57) ADORA3ADORA2AMEN1KMT2AL3MBTL1
SCHEMBL21338154 0.81 ADORA3 (0.57) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL13633450 0.80 MEN1 (0.48) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL4249530 0.80 ADORA3 (0.56) ADORA3ADORA2AMEN1KMT2AL3MBTL1
SCHEMBL15009258 0.79 MEN1 (0.51) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL16308047 0.79 MEN1 (0.51) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL1489997 0.79 ATF1 (0.48) ADORA3ADORA2ASMN1; SMN2POLBL3MBTL1
SCHEMBL115774 0.77 NPC1 (0.48) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL9672815 0.77 KMT2A (0.45) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL25699611 0.77 PIK3C3 (0.48) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 ADORA3 4719/4885ADORA2A 4760/4885MEN1 2321/4885

“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.