SCHEMBL3111670

SCHEMBL3111670

Cc1cc(Nc2ncc(C)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 11/20 0.58
▸ JAK3 P52333 5/20 0.58
▸ SYK P43405 6/20 0.46
▸ JAK2 O60674 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ TYK2 P29597 1/20 0.40
▸ PAK1 Q13153 1/20 0.39
▸ BRD4 O60885 3/20 0.38

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
SCHEMBL3115537 0.92 JAK1 (0.58) JAK1JAK3SYKJAK2TYK2
SCHEMBL3103946 0.87 JAK1 (0.46) JAK1JAK3SYKJAK2TYK2
SCHEMBL14553232 0.85 JAK1 (0.46) JAK1JAK3SYKJAK2TYK2
SCHEMBL3118461 0.82 JAK1 (0.48) JAK1JAK3SYKJAK2EGFR
SCHEMBL3114853 0.81 SYK (0.48) JAK1JAK3SYKJAK2TYK2
SCHEMBL14482276 0.80 JAK1 (0.44) JAK1JAK3SYKJAK2TYK2
SCHEMBL3116801 0.78 JAK1 (0.41) JAK1JAK3SYKJAK2TYK2
SCHEMBL3116796 0.78 JAK1 (0.44) JAK1JAK3SYKJAK2EGFR
SCHEMBL12854540 0.77 JAK1 (0.40) JAK1JAK3SYKJAK2EGFR
SCHEMBL1474333 0.76 JAK3 (0.80) JAK1JAK3SYKJAK2EGFR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382210-B1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-03-01 — — EP 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-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 JAK1 567/4885JAK3 1186/4885SYK 2106/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 503/4885JAK3 1030/4885SYK 2304/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 567/4885JAK3 1186/4885SYK 2106/4885

“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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