SCHEMBL12854445

SCHEMBL12854445

Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc2c(n1)N(C)C(=O)C(C)(C)O2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.57
▸ JAK2 O60674 2/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ EGFR P00533 1/20 0.50
▸ BUB1B O60566 1/20 0.49
▸ RET P07949 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ BRD2 P25440 1/20 0.49
▸ WEE1 P30291 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ BRD3 Q15059 1/20 0.49
▸ BRDT Q58F21 1/20 0.49
▸ ALK Q9UM73 1/20 0.49

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
SCHEMBL12854449 0.92 PDGFRB (0.52) BRD4JAK2FLT3WEE1ALK
SCHEMBL12694692 0.90 JAK1 (0.54) BRD4JAK2FLT3EGFRRET
SCHEMBL12854456 0.90 BRD4 (0.50) BRD4JAK2FLT3EGFRRET
SCHEMBL12854446 0.85 BRD4 (0.57) BRD4JAK2FLT3EGFRRET
SCHEMBL12694653 0.85 BRD4 (0.59) BRD4JAK2FLT3EGFR
SCHEMBL3111599 0.85 BRD4 (0.61) BRD4JAK2FLT3EGFR
SCHEMBL13268027 0.84 BRD4 (0.58) BRD4JAK2FLT3EGFRBUB1B
SCHEMBL3117512 0.80 BRD4 (0.62) BRD4JAK2FLT3EGFRBUB1B
SCHEMBL3122414 0.80 BRD4 (0.61) BRD4JAK2FLT3EGFRBUB1B
SCHEMBL14481732 0.79 BRD4 (0.58) BRD4JAK2FLT3EGFR

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 12 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-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-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-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 758/4885JAK2 854/4885FLT3 516/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885JAK2 994/4885FLT3 525/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 758/4885JAK2 854/4885FLT3 516/4885

“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.

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