SCHEMBL3494581

SCHEMBL3494581

CN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.53
FLT3 P36888 4/20 0.48
CHEK1 O14757 3/20 0.48
KIT P10721 3/20 0.48
EGFR P00533 2/20 0.48
CTSC P53634 2/20 0.48
ULK1 O75385 4/20 0.48
ULK2 Q8IYT8 1/20 0.48
SYK P43405 2/20 0.47
CDK4 P11802 2/20 0.47
CCND3 P30281 2/20 0.47
GSK3B P49841 2/20 0.47
PIM1 P11309 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
MTOR P42345 1/20 0.47
CCNA1 P78396 1/20 0.47

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
SCHEMBL3495081 0.93 CDK4 (0.53) BRD4FLT3CHEK1KITEGFR
SCHEMBL3496765 0.91 EGFR (0.55) BRD4EGFRCTSCCDK4CCND3
SCHEMBL1743522 0.90 BRD4 (0.46) BRD4FLT3CHEK1KITULK1
SCHEMBL3496816 0.89 TNK2 (0.51) BRD4FLT3CHEK1EGFRSYK
SCHEMBL3496128 0.89 CHEK1 (0.48) BRD4FLT3CHEK1KITEGFR
SCHEMBL1743511 0.89 BRD4 (0.52) BRD4FLT3CHEK1KITEGFR
SCHEMBL3494604 0.88 BRD4 (0.56) BRD4FLT3SYK
SCHEMBL3495623 0.86 BRD4 (0.59) BRD4FLT3CDK4CCND3GSK3B
SCHEMBL1741267 0.86 CDK2 (0.53) BRD4FLT3CHEK1KITEGFR
SCHEMBL3497984 0.85 ULK1 (0.51) FLT3CHEK1KITULK1ULK2

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 5 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-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

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 1173/4885FLT3 172/4885CHEK1 184/4885
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R BRD4 664/4885FLT3 2318/4885CHEK1 4522/4885

“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.