SCHEMBL2513499

SCHEMBL2513499

COCCCn1c(-c2ccccc2Cl)nc2c(Cl)nc(C)nc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.68
CNR1 P21554 11/20 0.68
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL2506054 0.93 CNR2 (0.67) CNR2CNR1GLAKMT2ATDP1
SCHEMBL2511405 0.83 CNR2 (0.70) CNR2CNR1
SCHEMBL12284589 0.83 CNR2 (0.55) CNR2CNR1
SCHEMBL12197619 0.82 CNR2 (1.00) CNR2CNR1
Hydrochloric Acid SCHEMBL2511051 0.81 CNR2 (0.98) CNR2CNR1
SCHEMBL2554012 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL12197621 0.80 CNR2 (0.90) CNR2CNR1
SCHEMBL12197620 0.80 CNR2 (0.90) CNR2CNR1
Hydrochloric Acid SCHEMBL2509585 0.80 CNR2 (0.90) CNR2CNR1
SCHEMBL14321181 0.80 CNR2 (0.52) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552921-B1 PURINE COMPOUNDS LILLY CO ELI (US) 2015-10-07 EP disclosed
US-8759360-B2 Purine compounds ELI LILLY AND COMPANY (US) 2014-06-24 US disclosed
US-8759360-B2 Purine compounds ELI LILLY AND COMPANY (US) 2014-06-24 US disclosed
US-8759360-B2 Purine compounds ELI LILLY AND COMPANY (US) 2014-06-24 US disclosed
WO-2011123372-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY (US) 2011-10-06 WO disclosed
US-20110245255-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY 2011-10-06 US disclosed
US-20110245255-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY 2011-10-06 US disclosed
US-20110245255-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY 2011-10-06 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-20110245255-A1 PURINE COMPOUNDS P2RX1, P2RX3, P2RX7 CNR2 380/4885CNR1 465/4885GLA 2641/4885

“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.