SCHEMBL4497489

SCHEMBL4497489

NC(=O)c1cnc(Nc2ccc(OCC3CCCN4CCCCC34)c(F)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CDK1 P06493 1/20 0.39
JAK3 P52333 5/20 0.39
LCK P06239 2/20 0.39
INSR P06213 1/20 0.38
AXL P30530 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38

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
SCHEMBL4508451 0.81 EGFR (0.46) EGFRCDK2CCNA2CCNA1CDK1
SCHEMBL4489929 0.78 AXL (0.57) EGFRJAK3LCKINSRAXL
SCHEMBL4497884 0.78 MAP2K1 (0.50) EGFR
SCHEMBL4498763 0.78 MAP2K1 (0.50) EGFR
SCHEMBL4499318 0.78 AXL (0.56) EGFRLCKINSRAXLBTK
SCHEMBL4494805 0.78 AXL (0.52) EGFRALDH1A1JAK3LCKINSR
SCHEMBL4495092 0.77 AXL (0.51) EGFRJAK3LCKINSRAXL
SCHEMBL4507920 0.73 AXL (0.49) EGFRLCKINSRAXLBTK
SCHEMBL4498951 0.73 TNK2 (0.60) EGFRMAPTJAK3LCKINSR
SCHEMBL5689296 0.72 AXL (0.49) EGFRLCKINSRAXLBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 TSHR 291/4885HTT 1801/4885EGFR 2918/4885

“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.