SCHEMBL12854448

SCHEMBL12854448

CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4ccc5c(n4)N(C)C(=O)CO5)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.55
▸ WEE1 P30291 4/20 0.55
▸ ALK Q9UM73 3/20 0.55
▸ PDGFRB P09619 3/20 0.55
▸ BRD4 O60885 10/20 0.51
▸ CDK9 P50750 2/20 0.51
▸ CCNA2 P20248 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CCNK O75909 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ CDK6 Q00534 1/20 0.51
▸ IGF1R P08069 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ NTRK1 P04629 1/20 0.46

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
SCHEMBL3111599 0.92 BRD4 (0.61) BRD4JAK2FLT3
SCHEMBL3109692 0.91 PDGFRA (0.53) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL13268241 0.86 WEE1 (0.53) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL3118352 0.86 PDGFRA (0.63) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL12854449 0.86 PDGFRB (0.52) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL3118349 0.85 BRD4 (0.57) BRD4JAK2FLT3
SCHEMBL3114460 0.82 JAK1 (0.55) WEE1BRD4JAK2FLT3JAK3
SCHEMBL12854451 0.81 BRD4 (0.52) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL13268121 0.80 PDGFRA (0.55) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL12854454 0.78 PDGFRA (0.55) PDGFRAWEE1ALKPDGFRBBRD4

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 15 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-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-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
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 PDGFRA 1064/4885WEE1 342/4885ALK 3241/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK PDGFRA 1259/4885WEE1 236/4885ALK 3686/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK PDGFRA 1064/4885WEE1 342/4885ALK 3241/4885

“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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