SCHEMBL194963

SCHEMBL194963

COc1nc(Br)ccc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CCR4 P51679 3/20 0.32
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
TUBB4A P04350 3/20 0.30
TUBB P07437 3/20 0.30
TUBA3C P0DPH7 3/20 0.30
TUBA1B P68363 3/20 0.30
TUBA4A P68366 3/20 0.30
TUBB4B P68371 3/20 0.30
TUBB3 Q13509 3/20 0.30
TUBB2A Q13885 3/20 0.30

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
SCHEMBL321488 0.82 POLB (0.52) ENPP2POLBTDP1CA1CA2
SCHEMBL320788 0.78 APOBEC3A (0.41) ENPP2CA1CA2ORAI1ORAI2
SCHEMBL4881938 0.77 ENPP2 (0.34) ENPP2CA1CA2CYP2C19
SCHEMBL29927287 0.76 CRHBP (0.38) ENPP2POLBTDP1CA1CA2
SCHEMBL31016804 0.76 ENPP2 (0.36) ENPP2POLBTDP1CA1CA2
SCHEMBL29956624 0.76 MCHR1 (0.38) ENPP2POLBTDP1CA1CA2
SCHEMBL12294984 0.76 CRHBP (0.38) ENPP2POLBTDP1CA1CA2
SCHEMBL15010557 0.76 ENPP2 (0.36) ENPP2POLBTDP1CA1CA2
SCHEMBL22257074 0.75 POLB (0.36) POLBTDP1CA1CA2CCR4
SCHEMBL13696715 0.74 ENPP2 (0.39) ENPP2CA1CA2ORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ENPP2 1743/4885POLB 2700/4885TDP1 924/4885

“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.