SCHEMBL3494973

SCHEMBL3494973

CN1C(C)(C)CC(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)c(Cl)c3)ncc2C#N)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.46
BRD4 O60885 4/20 0.44
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
JAK3 P52333 2/20 0.43
SLC2A1 P11166 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK6 Q00534 1/20 0.41
ALK Q9UM73 1/20 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
SCHEMBL3495839 0.94 SYK (0.45) SYKBRD4JAK2JAK1JAK3
SCHEMBL3496877 0.92 JAK2 (0.48) SYKBRD4JAK2JAK1JAK3
SCHEMBL1743517 0.90 PAK1 (0.49) SYKBRD4JAK3SLC2A1PKMYT1
SCHEMBL1741098 0.90 BRD4 (0.46) SYKBRD4JAK2JAK1JAK3
SCHEMBL1741119 0.88 BRD4 (0.48) SYKBRD4JAK2JAK1JAK3
SCHEMBL1741120 0.88 PRKCQ (0.46) SYKBRD4JAK2JAK1JAK3
SCHEMBL13248984 0.87 SYK (0.46) SYKBRD4JAK2JAK1JAK3
SCHEMBL13248985 0.86 SYK (0.42) SYKBRD4JAK2JAK1JAK3
SCHEMBL13248971 0.86 SYK (0.46) SYKBRD4JAK2JAK1JAK3
SCHEMBL1743522 0.86 BRD4 (0.46) SYKBRD4JAK2JAK1JAK3

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 9 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-8575165-B2 Methods for treating inflammatory disorders using 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS MIDCAP FINANCIAL TRUST 2010-07-15 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 (2 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 460/4885BRD4 1173/4885JAK2 268/4885
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R SYK 1196/4885BRD4 664/4885JAK2 180/4885

“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.