SCHEMBL4911494

SCHEMBL4911494

N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 1.00
ADORA2A P29274 12/20 1.00
MEN1 O00255 3/20 0.83
KMT2A Q03164 3/20 0.83
PIM1 P11309 1/20 0.83
L3MBTL1 Q9Y468 1/20 0.83
KDM4E B2RXH2 3/20 0.76
GLA P06280 1/20 0.76
GAA P10253 1/20 0.76
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
ADORA2B P29275 2/20 0.69
MAPT P10636 1/20 0.68
TSHR P16473 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68

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
SCHEMBL31120336 1.00 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120344 0.92 ADORA1 (0.85) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120351 0.91 ADORA1 (0.83) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120420 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120383 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120396 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL22215854 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL22215734 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL22208383 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL31120337 0.91 ADORA1 (1.00) ADORA1ADORA2AMEN1KMT2APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150027928-A1 Ionic liquids, methylcarbonate- or carboxylates-based, obtaining process and use thereof INSTITUTO MEXICANO DEL PETROLEO (MX) 2015-01-29 US disclosed
US-20080139608-A1 2,6,8, Trisubstituted 1-deazapurines and their different uses UNIVERSITEIT LEIDEN (NL) 2008-06-12 US disclosed
US-20080139608-A1 2,6,8, Trisubstituted 1-deazapurines and their different uses UNIVERSITEIT LEIDEN (NL) 2008-06-12 US disclosed
US-20080139608-A1 2,6,8, Trisubstituted 1-deazapurines and their different uses UNIVERSITEIT LEIDEN (NL) 2008-06-12 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-20080139608-A1 2,6,8, Trisubstituted 1-deazapurines and their different uses TPMT, NAT1, MTAP ADORA1 204/4885ADORA2A 142/4885MEN1 3183/4885

“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.