SCHEMBL4489867

SCHEMBL4489867

CN1CCN(C(=O)Cc2ccc(Nc3ncc(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.61
JAK2 O60674 4/20 0.51
IGF1R P08069 1/20 0.51
MAPT P10636 1/20 0.49
TYK2 P29597 1/20 0.46
PTK2 Q05397 2/20 0.45
CAMK2D Q13557 1/20 0.45
SRC P12931 1/20 0.45
SYK P43405 2/20 0.45
STAT6 P42226 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1735409 0.80 MAPT (0.65) BRD4JAK2IGF1RMAPT
SCHEMBL4492001 0.80 SYK (0.62) BRD4PTK2SYKSTAT6AURKA
SCHEMBL30306404 0.79 BRD4 (0.60) BRD4JAK2IGF1RMAPTTYK2
SCHEMBL5686484 0.76 EGFR (0.54) BRD4JAK2TYK2SRCSYK
SCHEMBL17526251 0.76 BRD4 (1.00) BRD4IGF1RPTK2AURKAAURKB
SCHEMBL5686325 0.75 RAB9A (0.56) JAK2SYK
SCHEMBL4494959 0.75 STAT6 (0.59) PTK2SYKSTAT6
SCHEMBL17005759 0.74 SYK (0.55) PTK2SYK
SCHEMBL12927241 0.73 BRD4 (0.64) BRD4JAK2IGF1RTYK2CAMK2D
SCHEMBL12608178 0.73 BRD4 (0.64) BRD4JAK2IGF1RTYK2CAMK2D

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 BRD4 334/4885JAK2 513/4885IGF1R 349/4885

“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.