SCHEMBL12694772

SCHEMBL12694772

CCCN1C(=O)COc2ccc(Nc3nc(Nc4cnc(N5CC6CC5CN6C)c(C)c4)ncc3C)nc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 9/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 3/20 0.43
▸ WEE1 P30291 2/20 0.39
▸ TYK2 P29597 1/20 0.38
▸ GABRG2 P18507 4/20 0.35
▸ GABRB3 P28472 4/20 0.35
▸ GABRA5 P31644 4/20 0.35
▸ SYK P43405 2/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL12854480 0.92 JAK1 (0.43) JAK1JAK2JAK3WEE1TYK2
SCHEMBL12854345 0.84 JAK1 (0.40) JAK1JAK2JAK3WEE1TYK2
SCHEMBL12854367 0.84 JAK1 (0.38) JAK1JAK2JAK3WEE1TYK2
SCHEMBL3120192 0.81 JAK1 (0.46) JAK1JAK2JAK3WEE1TYK2
SCHEMBL14553235 0.79 JAK1 (0.44) JAK1JAK2JAK3WEE1TYK2
SCHEMBL3111101 0.79 JAK1 (0.33) JAK1JAK2JAK3WEE1TYK2
SCHEMBL12854464 0.79 WEE1 (0.49) JAK1JAK2JAK3WEE1TYK2
SCHEMBL12694674 0.79 JAK1 (0.48) JAK1JAK2JAK3WEE1TYK2
SCHEMBL12854341 0.78 SYK (0.39) JAK1JAK2JAK3WEE1TYK2
SCHEMBL12854337 0.78 PAK1 (0.39) JAK1JAK2JAK3WEE1TYK2

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
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

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 567/4885JAK2 854/4885JAK3 1186/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 503/4885JAK2 994/4885JAK3 1030/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 567/4885JAK2 854/4885JAK3 1186/4885

“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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