SCHEMBL4488342

SCHEMBL4488342

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCN3CCN(C(C)C)CC3)c(F)c2)nc1Oc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.45
BTK Q06187 5/20 0.43
LCK P06239 3/20 0.43
TNK2 Q07912 3/20 0.43
JAK3 P52333 2/20 0.43
KDR P35968 2/20 0.42
SRC P12931 1/20 0.42
SIK1 P57059 2/20 0.41
SIK2 Q9H0K1 2/20 0.41
SIK3 Q9Y2K2 2/20 0.41
MET P08581 3/20 0.41
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
INSR P06213 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 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
SCHEMBL4507483 0.98 TNK2 (0.43) NTRK1BTKLCKTNK2JAK3
SCHEMBL4481283 0.96 BTK (0.42) NTRK1BTKLCKTNK2JAK3
SCHEMBL4507570 0.95 SIK1 (0.44) NTRK1BTKLCKTNK2JAK3
SCHEMBL4493115 0.94 TNK2 (0.46) NTRK1BTKLCKTNK2JAK3
SCHEMBL5689566 0.93 TNK2 (0.46) NTRK1BTKLCKTNK2JAK3
SCHEMBL4485769 0.93 LCK (0.45) NTRK1BTKLCKTNK2JAK3
SCHEMBL4495262 0.91 LCK (0.43) BTKLCKTNK2JAK3KDR
SCHEMBL4487763 0.91 MET (0.42) BTKLCKTNK2JAK3KDR
SCHEMBL5686330 0.91 TNK2 (0.45) NTRK1BTKLCKTNK2JAK3
SCHEMBL5689066 0.91 LCK (0.44) NTRK1BTKLCKTNK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
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 claimed
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 NTRK1 2408/4885BTK 1420/4885LCK 33/4885

“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.