SCHEMBL3497228

SCHEMBL3497228

CCN(CC)C1CCC(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)ncc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.51
JAK1 P23458 4/20 0.49
JAK2 O60674 3/20 0.49
JAK3 P52333 2/20 0.49
BRD4 O60885 2/20 0.45
CHEK1 O14757 2/20 0.45
RET P07949 2/20 0.45
TYK2 P29597 2/20 0.45
FLT3 P36888 2/20 0.45
RPS6KA3 P51812 2/20 0.45
MAPK10 P53779 2/20 0.45
STK4 Q13043 2/20 0.45
STK3 Q13188 2/20 0.45
MARK2 Q7KZI7 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
RPS6KA6 Q9UK32 2/20 0.45
NUAK1 O60285 1/20 0.45
CSF1R P07333 1/20 0.45
FLT4 P35916 1/20 0.45
MAP3K9 P80192 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
SCHEMBL3497389 0.91 SYK (0.48) SYKJAK1JAK2JAK3BRD4
SCHEMBL3496792 0.90 SYK (0.53) SYKJAK2JAK3BRD4CHEK1
SCHEMBL1742634 0.83 SYK (0.49) SYKJAK1JAK2JAK3BRD4
SCHEMBL13252996 0.83 SYK (0.49) SYKJAK1JAK2JAK3BRD4
SCHEMBL1741119 0.82 BRD4 (0.48) SYKJAK1JAK2JAK3BRD4
SCHEMBL3497120 0.82 SYK (0.47) SYKJAK1JAK2JAK3BRD4
SCHEMBL3495732 0.80 ALK (0.52) SYKJAK2JAK3BRD4CHEK1
SCHEMBL13341208 0.80 SIK1 (0.49) SYKJAK1JAK2JAK3BRD4
SCHEMBL3496329 0.80 BCL6 (0.64) SYKFLT3ULK1BCL6
SCHEMBL17076543 0.79 SYK (0.80) SYKJAK1JAK2JAK3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ SYK 460/4885JAK1 292/4885JAK2 268/4885

“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.