SCHEMBL20782846

SCHEMBL20782846

COc1cc2ncc(C#N)c(Nc3ccc(NS(N)(=O)=O)cc3)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.72
EGFR P00533 8/20 0.72
ERBB2 P04626 7/20 0.72
SRC P12931 6/20 0.71
RAF1 P04049 1/20 0.66
GAK O14976 1/20 0.64

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
SCHEMBL27437241 0.86 MAP2K1 (0.74) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL20782594 0.86 MAP2K1 (0.67) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL30447144 0.86 MAP2K1 (0.67) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL25682522 0.86 EGFR (0.67) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL6381609 0.84 EGFR (1.00) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL5733290 0.83 MAP2K1 (1.00) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL6381464 0.83 EGFR (1.00) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL6380423 0.83 EGFR (1.00) MAP2K1EGFRERBB2SRCGAK
SCHEMBL28756490 0.83 MAP2K1 (0.95) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL6384543 0.83 EGFR (0.80) MAP2K1EGFRERBB2SRCRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 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 (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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 MAP2K1 4103/4885EGFR 2429/4885ERBB2 3053/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 MAP2K1 4103/4885EGFR 2429/4885ERBB2 3053/4885

“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.