SCHEMBL31673027

SCHEMBL31673027

COc1ccccc1Nc1nc(N2CCC(C(=O)O)CC2)ncc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 10/20 0.56
▸ CASP1 P29466 1/20 0.54
▸ CAMK1D Q8IU85 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ USP2 O75604 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ SYK P43405 1/20 0.47

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
SCHEMBL31673021 0.90 KDM4E (0.50) MAP4K1CASP1KDM4EJAK2JAK1
SCHEMBL30751569 0.88 PTPN11 (0.57) MAP4K1CASP1CAMK1DKDM4EJAK2
SCHEMBL31673030 0.84 CAMK1D (0.49) MAP4K1CAMK1DJAK2JAK1TYK2
SCHEMBL30751492 0.82 TYK2 (0.48) MAP4K1CAMK1DJAK1TYK2SYK
Hydrochloric Acid SCHEMBL31673025 0.81 HTR2A (0.55) MAP4K1CASP1CAMK1DJAK2JAK1
SCHEMBL31673019 0.81 MAP4K1 (0.52) MAP4K1CASP1CAMK1DJAK2JAK1
SCHEMBL30751504 0.79 PTPN11 (0.56) CASP1KDM4EUSP2MAPTALOX15
SCHEMBL30751511 0.78 PTPN11 (0.53) MAP4K1CAMK1DJAK2JAK1TYK2
SCHEMBL14658203 0.78 CAMK1D (0.59) CAMK1DSYK
SCHEMBL31673036 0.77 SYK (0.52) CAMK1DJAK2JAK1SYK

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-20250257051-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS 1910 GENETICS INC (US) 2025-08-14 — — 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-20250257051-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS TYK2 INHIBITORS TYK2, PDXK, JAK1 MAP4K1 116/4885CASP1 2112/4885CAMK1D 667/4885

“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.

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