SCHEMBL20110645

SCHEMBL20110645

Cc1cc(N)cc2c(F)n[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
CASP1 P29466 1/20 0.30
GFER P55789 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
SCHEMBL25366335 0.80 ADORA2A (0.46) ADORA2AADORA2BJAK2ALDH1A1TSHR
SCHEMBL31147782 0.80 ADORA2A (0.46) ADORA2AADORA2BJAK2ALDH1A1TSHR
SCHEMBL22889757 0.77 CHEK1 (0.35) JAK2ALDH1A1TSHRGAACYP1A2
SCHEMBL2861121 0.73 ADORA2A (0.43) ADORA2AADORA2BGAA
SCHEMBL25367250 0.72 ADORA2A (0.46) ADORA2AADORA2BALDH1A1TSHR
SCHEMBL25366793 0.72
SCHEMBL20110646 0.70 ADORA2A (0.41) ADORA2AADORA2BALDH1A1TSHRPOLB
SCHEMBL22890550 0.67 NTRK1 (0.40) ADORA2A
SCHEMBL7571499 0.67 GSK3B (0.51) JAK2ALDH1A1GAACYP3A4MAPT
SCHEMBL29644051 0.67 GSK3B (0.51) JAK2ALDH1A1GAACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A ADORA2A 125/4885ADORA2B 154/4885JAK2 809/4885

“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.