SCHEMBL21784543

SCHEMBL21784543

COc1c(-c2nc(C)c[nH]2)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
TRPA1 O75762 1/20 0.30
LMNA P02545 2/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 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
SCHEMBL17194918 0.82 TLR8 (0.37) FGFR1FGFR2HPGD
SCHEMBL18415078 0.77 ALDH1A1 (0.33) FGFR1FGFR2TRPA1CA2GABRA1
SCHEMBL20225753 0.75 BRD4 (0.33) TEKTP53POLBLMNAFAAH
SCHEMBL20150086 0.75 TAAR1 (0.46) TSHRTAAR1
SCHEMBL21091021 0.74 ADRA2A (0.31) TP53CYP1A2CYP3A4HPGDTSHR
SCHEMBL20150116 0.72 IDO1 (0.44)
SCHEMBL20150091 0.72 TP53 (0.32) TEKTP53POLBTRPA1LMNA
SCHEMBL18415086 0.72 ALDH1A1 (0.43) TP53CYP3A4HPGDHIF1A
SCHEMBL21784456 0.71 TYK2 (0.39) LMNACYP1A2CYP3A4TSHRHIF1A
SCHEMBL21784684 0.71 COMT (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 TEK 738/4885TP53 2842/4885POLB 2458/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TEK 738/4885TP53 2842/4885POLB 2458/4885

“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.