SCHEMBL1743374

SCHEMBL1743374

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
ALK Q9UM73 3/20 0.47
FLT3 P36888 9/20 0.46
CHEK1 O14757 8/20 0.46
KIT P10721 7/20 0.46
ULK1 O75385 4/20 0.45
ULK2 Q8IYT8 1/20 0.45
CDK2 P24941 3/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45
SYK P43405 2/20 0.44
JAK3 P52333 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
AURKA O14965 2/20 0.44
RPS6KA5 O75582 1/20 0.44
RPS6KA4 O75676 1/20 0.44
RPS6KB1 P23443 1/20 0.44
RPS6KA3 P51812 1/20 0.44
RPS6KA2 Q15349 1/20 0.44

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
SCHEMBL13268479 0.94 BRD4 (0.55) BRD4ALKFLT3CDK2CCNA2
SCHEMBL1741976 0.94 BRD4 (0.48) BRD4ALKFLT3CHEK1KIT
SCHEMBL1743522 0.94 BRD4 (0.46) BRD4ALKFLT3CHEK1KIT
SCHEMBL3494040 0.92 CHEK1 (0.45) ALKFLT3CHEK1KITULK1
SCHEMBL13248983 0.92 BRD4 (0.46) BRD4ALKFLT3CHEK1KIT
SCHEMBL1741098 0.91 BRD4 (0.46) BRD4ALKFLT3CHEK1KIT
SCHEMBL13248970 0.91 BRD4 (0.46) BRD4ALKFLT3CHEK1KIT
SCHEMBL1741104 0.90 CCNA2 (0.48) BRD4ALKCDK2CCNA2CCNA1
SCHEMBL3496272 0.90 SYK (0.59) FLT3CHEK1ULK1SYKJAK3
SCHEMBL3495081 0.90 CDK4 (0.53) BRD4FLT3CHEK1KITULK1

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 16 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-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-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 BRD4 1173/4885ALK 582/4885FLT3 172/4885
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R BRD4 664/4885ALK 4387/4885FLT3 2318/4885

“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.