SCHEMBL3496547

SCHEMBL3496547

CN1C(C)(C)CC(Nc2ncc(C(F)(F)F)c(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)n2)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
ALK Q9UM73 2/20 0.46
CCNE1 P24864 6/20 0.45
CDK2 P24941 6/20 0.45
CCND1 P24385 4/20 0.45
CDK6 Q00534 4/20 0.45
CDK1 P06493 3/20 0.45
CDK4 P11802 3/20 0.45
CCNB1 P14635 3/20 0.45
CCND3 P30281 3/20 0.45
CCNT1 O60563 2/20 0.45
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNH P51946 2/20 0.45
MNAT1 P51948 2/20 0.45
EGFR P00533 1/20 0.44
MAPK3 P27361 1/20 0.43
ULK1 O75385 1/20 0.42
CHEK1 O14757 2/20 0.41
KIT P10721 2/20 0.41

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
SCHEMBL1743522 0.94 BRD4 (0.46) BRD4ALKCDK2CDK6CDK1
SCHEMBL1743374 0.88 BRD4 (0.49) BRD4ALKCDK2CDK6CDK1
SCHEMBL1741119 0.85 BRD4 (0.48) BRD4ALKCDK2CDK1CDK7
SCHEMBL3494040 0.84 CHEK1 (0.45) ALKCDK2CDK6CDK1ULK1
SCHEMBL3494581 0.84 BRD4 (0.53) BRD4CDK2CDK4CCND3EGFR
SCHEMBL13268479 0.83 BRD4 (0.55) BRD4ALKCDK2CDK4CCND3
SCHEMBL1741976 0.83 BRD4 (0.48) BRD4ALKCDK2CDK1CDK4
SCHEMBL13248984 0.82 SYK (0.46) BRD4ALKEGFRFLT3SYK
SCHEMBL3494973 0.81 SYK (0.46) BRD4ALKCCNE1CDK2CCND1
SCHEMBL13248971 0.81 SYK (0.46) BRD4ALKEGFRFLT3SYK

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 3 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
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

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 BRD4 1173/4885ALK 582/4885CCNE1 1873/4885

“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.