SCHEMBL20946451

SCHEMBL20946451

NCc1cccc(-c2ccccc2C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.61
PLA2G2A P14555 10/20 0.53
PLA2G10 O15496 9/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.51
PLA2G1B P04054 1/20 0.48
PLA2G5 P39877 1/20 0.48
PLA2G2C Q5R387 1/20 0.48
PLA2G12B Q9BX93 1/20 0.48
PLA2G12A Q9BZM1 1/20 0.48
PLA2G2F Q9BZM2 1/20 0.48
PLA2G3 Q9NZ20 1/20 0.48
PLA2G2E Q9NZK7 1/20 0.48
PLA2G2D Q9UNK4 1/20 0.48
CFD P00746 3/20 0.47
CHEK1 O14757 1/20 0.46
CTSA P10619 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
F11 P03951 1/20 0.43
KLKB1 P03952 1/20 0.43

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
SCHEMBL19237016 0.87 CFD (0.50) BCAT2CFDPLGPLAUF11
Hydrochloric Acid SCHEMBL20593581 0.86 CFD (0.49) BCAT2CFDPLGPLAUF11
SCHEMBL21357017 0.86 BCAT2 (0.59) BCAT2PLA2G2APLA2G10SLCO1B1PLA2G1B
SCHEMBL500761 0.85 BCAT2 (0.67) BCAT2PLA2G2APLA2G10SLCO1B1CHEK1
SCHEMBL10908563 0.84 BCAT2 (0.77) BCAT2PLA2G2APLA2G10SLCO1B1CHEK1
Hydrochloric Acid SCHEMBL500203 0.83 BCAT2 (0.65) BCAT2PLA2G2APLA2G10SLCO1B1CHEK1
SCHEMBL28116797 0.83 CFD (0.44) BCAT2PLA2G2APLA2G10CFDPLG
SCHEMBL11161802 0.83 LOXL2 (0.50)
SCHEMBL30839542 0.82 PARP1 (0.58) BCAT2PLA2G2APLA2G10SLCO1B1PLA2G1B
SCHEMBL5475393 0.82 LOXL2 (0.57) CFDPLGPLAUHTR7

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-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 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 (2 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 BCAT2 899/4885PLA2G2A 3151/4885PLA2G10 2487/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 BCAT2 899/4885PLA2G2A 3151/4885PLA2G10 2487/4885

“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.