SCHEMBL30751554

SCHEMBL30751554

CNC(=O)c1cnc(N2CCCN(C(C)=O)CC2)nc1Nc1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.47
▸ ALK Q9UM73 9/20 0.46
▸ MAPT P10636 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ IGF1R P08069 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DCLK1 O15075 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45

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
SCHEMBL31673019 0.90 MAP4K1 (0.52) PTPN11ALKMAPTUSP2ALOX15
SCHEMBL30751495 0.89 PTPN11 (0.52) PTPN11ALKMAPTUSP2ALOX15
SCHEMBL30751489 0.85 PTPN11 (0.46) PTPN11ALKIGF1RMAPK1JAK2
SCHEMBL31673037 0.85 HTR2A (0.55) ALKMAPTUSP2ALOX15TSHR
Hydrochloric Acid SCHEMBL31673046 0.84 HTR2A (0.54) ALKMAPTUSP2ALOX15TSHR
SCHEMBL30751564 0.83 TYK2 (0.46) PTPN11ALKJAK2TYK2JAK3
SCHEMBL30751518 0.82 MAPT (0.44) ALKMAPTUSP2ALOX15TSHR
SCHEMBL31673021 0.82 KDM4E (0.50) PTPN11ALKMAPTUSP2ALOX15
SCHEMBL30751511 0.79 PTPN11 (0.53) PTPN11ALKJAK2TYK2EGFR
SCHEMBL30751504 0.78 PTPN11 (0.56) PTPN11MAPTUSP2ALOX15TSHR

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 PTPN11 535/4885ALK 809/4885MAPT 943/4885

“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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