SCHEMBL20920649

SCHEMBL20920649

CNc1nc(NC23CC(C2)C3)ncc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 10/20 0.62
▸ MAPK9 P45984 6/20 0.61
▸ SYK P43405 7/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NNMT P40261 1/20 0.40

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
SCHEMBL14657672 0.83 MAPK8 (0.62) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL20920632 0.81 SYK (0.44) MAPK8MAPK9SYKNNMT
SCHEMBL17088506 0.81 MAPK8 (0.60) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL14657223 0.81 MAPK8 (0.60) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL14657225 0.81 MAPK8 (0.60) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL14667275 0.81 MAPK8 (0.60) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL13734269 0.81 MAPK8 (0.53) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL762022 0.80 SYK (0.52) MAPK8MAPK9SYKNNMT
SCHEMBL13733963 0.79 MAPK8 (0.51) MAPK8MAPK9SYKJAK2JAK1
SCHEMBL20920664 0.78 MAPK8 (0.57) MAPK8MAPK9SYKJAK2JAK1

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-10266500-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2019-04-23 — — 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-10266500-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 MAPK8 45/4885MAPK9 87/4885SYK 2460/4885

“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.

Send feedback