SCHEMBL3112988

SCHEMBL3112988

CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4ccc5c(c4)N(C)C(=O)CS5)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.61
▸ WEE1 P30291 2/20 0.61
▸ ALK Q9UM73 2/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ BRD4 O60885 16/20 0.53
▸ JAK2 O60674 2/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ CDK9 P50750 2/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ BRD2 P25440 1/20 0.50
▸ BRD3 Q15059 1/20 0.50
▸ BRDT Q58F21 1/20 0.50
▸ CCNK O75909 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ PRKD3 O94806 1/20 0.50

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
SCHEMBL3118367 0.92 ALK (0.61) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL3118352 0.84 PDGFRA (0.63) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL3999283 0.80 JAK3 (0.54) WEE1ALKJAK2JAK3CDK9
SCHEMBL13268039 0.80 PDGFRA (0.60) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL3122506 0.79 PDGFRA (0.59) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL1474665 0.79 EGFR (0.47) WEE1ALKBRD4JAK2JAK3
SCHEMBL3997161 0.79 BRD4 (0.48) ALKBRD4JAK2JAK3JAK1
SCHEMBL1474544 0.79 BRD4 (0.49) BRD4JAK2JAK3JAK1BRD2
SCHEMBL1197985 0.78 JAK1 (0.56) BRD4JAK3JAK1BTK
SCHEMBL1197711 0.77 MAPT (0.55) ALKJAK3JAK1BTKCDK19

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 1064/4885WEE1 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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