SCHEMBL2931661

SCHEMBL2931661

Clc1ccc(C2=C[N+]3(Cl)N=CN=C3C=N2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.36
HSD11B1 P28845 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MGAM O43451 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
RAB9A P51151 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 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
SCHEMBL464507 0.60 AHR (0.64) AHRHSD11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL29624840 0.60 AHR (0.64) AHRHSD11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL11423973 0.59 AHR (0.57) AHRHSD11B1ALDH1A1RAB9AHPGD
SCHEMBL2933108 0.57 AHR (0.67) AHRHSD11B1KDM4EALDH1A1RAB9A
SCHEMBL4450464 0.56 AHR (0.71) AHRHSD11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL4452962 0.55 AHR (0.56) AHRHSD11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL4454517 0.55 AHR (0.56) AHRHSD11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL29788257 0.55 AHR (0.61) AHRHSD11B1ALDH1A1RAB9AHPGD
SCHEMBL2908267 0.55 AHR (1.00) AHRHSD11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL510771 0.55 AHR (0.61) AHRHSD11B1ALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT AHR 1228/4885HSD11B1 3089/4885HSP90AA1 3452/4885

“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.