SCHEMBL3120100

SCHEMBL3120100

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.65
ALK Q9UM73 2/20 0.58
CDK9 P50750 2/20 0.57
CHEK1 O14757 1/20 0.57
AURKA O14965 1/20 0.57
DAPK3 O43293 1/20 0.57
JAK2 O60674 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PAK4 O96013 1/20 0.57
ABL1 P00519 1/20 0.57
NTRK1 P04629 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
CSF1R P07333 1/20 0.57
RET P07949 1/20 0.57
IGF1R P08069 1/20 0.57
MET P08581 1/20 0.57
PDGFRB P09619 1/20 0.57
PIM1 P11309 1/20 0.57

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
Formic Acid SCHEMBL14481723 0.96 BRD4 (0.60) BRD4ALKCDK9CHEK1AURKA
SCHEMBL12854577 0.94 BRD4 (0.66) BRD4ALKCDK9CHEK1AURKA
SCHEMBL12854408 0.93 BRD4 (0.64) BRD4ALKCDK9CHEK1AURKA
SCHEMBL3117302 0.92 BRD4 (0.65) BRD4EGFR
SCHEMBL12854407 0.91 BRD4 (0.62) BRD4ALKCDK9CHEK1AURKA
SCHEMBL3115522 0.91 CTSC (0.56) BRD4ALKCDK9CHEK1AURKA
SCHEMBL3120301 0.91 EGFR (0.55) BRD4FGFR1FLT3BTKEGFR
Formic Acid SCHEMBL15388834 0.89 BRD4 (0.59) BRD4ALKCDK9CHEK1AURKA
Formic Acid SCHEMBL14482108 0.88 BRD4 (0.60) BRD4EGFR
Formic Acid SCHEMBL14482084 0.88 CTSC (0.52) BRD4ALKCDK9CHEK1AURKA

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-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 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 (3 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 758/4885ALK 3241/4885CDK9 21/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885ALK 3686/4885CDK9 25/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 758/4885ALK 3241/4885CDK9 21/4885

“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.