SCHEMBL3109347

SCHEMBL3109347

Cc1cnc(Nc2ccc(N3CCN(C)CC3)nc2)nc1Nc1ccc2c(c1)NC(=O)C(C)(C)O2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.63
JAK3 P52333 5/20 0.63
JAK2 O60674 1/20 0.63
CYP3A4 P08684 1/20 0.63
SYK P43405 4/20 0.55
BRD4 O60885 10/20 0.52
EGFR P00533 1/20 0.47
CTSC P53634 1/20 0.47

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
SCHEMBL3102212 0.89 JAK1 (0.60) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL3104807 0.86 JAK1 (0.56) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL13268253 0.86 JAK1 (0.66) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL3112822 0.86 JAK1 (0.64) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL12854653 0.85 JAK1 (0.61) JAK1JAK3JAK2CYP3A4SYK
Formic Acid SCHEMBL14482191 0.83 JAK1 (0.60) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL3118310 0.82 JAK1 (0.57) JAK1JAK3JAK2CYP3A4BRD4
SCHEMBL12694692 0.80 JAK1 (0.54) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL3115532 0.80 JAK1 (0.60) JAK1JAK3JAK2CYP3A4BRD4
Formic Acid SCHEMBL14481828 0.79 JAK1 (0.54) JAK1JAK3JAK2CYP3A4BRD4

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 12 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-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 567/4885JAK3 1186/4885JAK2 854/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 503/4885JAK3 1030/4885JAK2 994/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 567/4885JAK3 1186/4885JAK2 854/4885

“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.