SCHEMBL3112708

SCHEMBL3112708

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 8/20 0.63
▸ WEE1 P30291 7/20 0.63
▸ PDGFRA P16234 4/20 0.63
▸ CDK9 P50750 3/20 0.63
▸ NTRK1 P04629 3/20 0.63
▸ AURKA O14965 3/20 0.63
▸ DAPK3 O43293 3/20 0.63
▸ JAK2 O60674 3/20 0.63
▸ PRKD3 O94806 3/20 0.63
▸ MAP4K4 O95819 3/20 0.63
▸ PAK4 O96013 3/20 0.63
▸ LCK P06239 3/20 0.63
▸ FYN P06241 3/20 0.63
▸ CSF1R P07333 3/20 0.63
▸ RET P07949 3/20 0.63
▸ IGF1R P08069 3/20 0.63
▸ FGFR1 P11362 3/20 0.63
▸ PRKACA P17612 3/20 0.63
▸ FLT1 P17948 3/20 0.63
▸ LTK P29376 3/20 0.63

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
SCHEMBL12854601 0.92 ALK (0.63) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL3118352 0.92 PDGFRA (0.63) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL12854635 0.88 BRD4 (0.58) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL12854577 0.87 BRD4 (0.66) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL13268184 0.86 ALK (0.60) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL12854603 0.85 ALK (0.59) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL3120100 0.85 BRD4 (0.65) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL3118367 0.84 ALK (0.61) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL12854607 0.83 ALK (0.62) ALKWEE1PDGFRACDK9NTRK1
SCHEMBL3114729 0.83 BRD4 (0.57) ALKWEE1PDGFRACDK9NTRK1

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

“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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