SCHEMBL3118352

SCHEMBL3118352

CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4ccc5c(c4)N(C)C(=O)CO5)n3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 6/20 0.63
▸ PDGFRB P09619 4/20 0.63
▸ WEE1 P30291 4/20 0.63
▸ ALK Q9UM73 4/20 0.63
▸ BRD4 O60885 10/20 0.59
▸ CDK9 P50750 2/20 0.52
▸ CCNK O75909 1/20 0.52
▸ CCNA2 P20248 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CCND3 P30281 1/20 0.52
▸ CDK6 Q00534 1/20 0.52
▸ AURKA O14965 2/20 0.52
▸ DAPK3 O43293 2/20 0.52
▸ JAK2 O60674 2/20 0.52
▸ PRKD3 O94806 2/20 0.52
▸ MAP4K4 O95819 2/20 0.52
▸ PAK4 O96013 2/20 0.52
▸ LCK P06239 2/20 0.52
▸ FYN P06241 2/20 0.52
▸ CSF1R P07333 2/20 0.52

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
SCHEMBL3112708 0.92 ALK (0.63) PDGFRAPDGFRBWEE1ALKBRD4
SCHEMBL3114405 0.88 BRD4 (0.58) WEE1ALKBRD4JAK2RET
SCHEMBL12854632 0.87 BRD4 (0.66) BRD4
SCHEMBL13268039 0.86 PDGFRA (0.60) PDGFRAPDGFRBWEE1ALKBRD4
SCHEMBL12854448 0.86 PDGFRA (0.55) PDGFRAPDGFRBWEE1ALKBRD4
SCHEMBL3122506 0.85 PDGFRA (0.59) PDGFRAPDGFRBWEE1ALKBRD4
SCHEMBL3117302 0.85 BRD4 (0.65) BRD4
SCHEMBL3112988 0.84 PDGFRA (0.61) PDGFRAPDGFRBWEE1ALKBRD4
SCHEMBL12854601 0.84 ALK (0.63) PDGFRAPDGFRBWEE1ALKBRD4
SCHEMBL3115044 0.83 BRD4 (0.57) PDGFRAPDGFRBWEE1BRD4JAK2

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 17 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-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 PDGFRA 1064/4885PDGFRB 1086/4885WEE1 342/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK PDGFRA 1259/4885PDGFRB 1315/4885WEE1 236/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK PDGFRA 1064/4885PDGFRB 1086/4885WEE1 342/4885

“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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