SCHEMBL1741104

SCHEMBL1741104

CN1C(C)(C)CC(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)c(C(F)(F)F)c3)ncc2[N+](=O)[O-])CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.48
CDK2 P24941 4/20 0.48
CCNA1 P78396 4/20 0.48
MTOR P42345 5/20 0.46
PIM1 P11309 3/20 0.46
CDK4 P11802 3/20 0.46
CCND3 P30281 3/20 0.46
GSK3B P49841 3/20 0.46
BRD4 O60885 2/20 0.45
SYK P43405 3/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
PLK1 P53350 1/20 0.41
ALK Q9UM73 2/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL3497197 0.92 CCNA2 (0.56) CCNA2CDK2CCNA1MTORPIM1
SCHEMBL1743374 0.90 BRD4 (0.49) CCNA2CDK2CCNA1BRD4SYK
SCHEMBL1741978 0.90 SYK (0.45) BRD4SYKJAK2JAK1JAK3
SCHEMBL3494045 0.89 CCNA2 (0.48) CCNA2CDK2CCNA1MTORPIM1
SCHEMBL13268479 0.89 BRD4 (0.55) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL1741976 0.89 BRD4 (0.48) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL13248983 0.87 BRD4 (0.46) CCNA2CDK2CCNA1MTORPIM1
SCHEMBL13248970 0.86 BRD4 (0.46) CCNA2CDK2CCNA1MTORPIM1
SCHEMBL1741098 0.86 BRD4 (0.46) CCNA2CDK2CCNA1MTORPIM1
SCHEMBL3496272 0.86 SYK (0.59) MTORSYKJAK2JAK1JAK3

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 13 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-8575165-B2 Methods for treating inflammatory disorders using 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-11-05 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-8575165-B2 Methods for treating inflammatory disorders using 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
EP-2387402-A2 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8038799-B2 Substrate processing apparatus and substrate processing method KURITA WATER INDUSTRIES LTD. (JP) 2011-10-18 US disclosed
WO-2010083240-A2 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS MIDCAP FINANCIAL TRUST 2010-07-15 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 CCNA2 1000/4885CDK2 129/4885CCNA1 1011/4885
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R CCNA2 1901/4885CDK2 714/4885CCNA1 2898/4885

“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.