SCHEMBL2458840

SCHEMBL2458840

Cc1ccc(Cl)c(-c2cccc(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.49
ADORA2A P29274 4/20 0.49
NT5E P21589 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ADORA2B P29275 2/20 0.40
PTGS2 P35354 1/20 0.39
GRM5 P41594 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL2461837 0.80 ADORA2A (0.55) ADORA1ADORA2AKDM4EMGAMGAA
SCHEMBL21022103 0.79 ADORA2A (0.43) ADORA1ADORA2AADORA2BPTGS2
SCHEMBL26606982 0.78 ADORA1 (0.49) ADORA1ADORA2AKDM4EALDH1A1HTT
SCHEMBL30573063 0.78 ADORA1 (0.49) ADORA1ADORA2AKDM4EALDH1A1HTT
SCHEMBL25510515 0.78 ADORA2A (0.46) ADORA1ADORA2AMGAMGAASI
SCHEMBL25551846 0.78 ROS1 (0.46) ADORA1ADORA2ANT5EKDM4EALDH1A1
SCHEMBL30037423 0.77 BTK (0.51) ADORA1ADORA2ANT5EKDM4EALDH1A1
SCHEMBL25551842 0.77 BTK (0.51) ADORA1ADORA2ANT5EKDM4EALDH1A1
SCHEMBL15832026 0.76 ADORA2A (0.48) ADORA1ADORA2AKDM4EMGAMGAA
SCHEMBL2458977 0.76 PDE4B (0.40) ADORA1ADORA2ANT5EKDM4EALDH1A1

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
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-8791147-B2 Calcium receptor modulating agents AMGEN INC. (US) 2014-07-29 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 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-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, CNR1 ADORA1 256/4885ADORA2A 338/4885NT5E 965/4885

“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.