SCHEMBL12854264

SCHEMBL12854264

CNc1ncc(F)c(Nc2ccc3c(n2)NCCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 14/20 0.44
▸ EGFR P00533 4/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ ITK Q08881 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ BMPR1B O00238 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ STK25 O00506 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ RIOK3 O14730 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ MUSK O15146 1/20 0.41
▸ EPHB6 O15197 1/20 0.41

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
SCHEMBL15397375 0.81 SYK (0.63) SYKEGFRJAK2ITKADORA3
SCHEMBL2560511 0.80 EGFR (0.55) SYKEGFRAURKACSF1RCDK2
SCHEMBL12854290 0.78 SYK (0.53) SYKEGFRJAK2ITKADORA3
SCHEMBL2566155 0.78 CCNT1 (0.54) SYKEGFRJAK2ITKNTRK1
SCHEMBL12854321 0.77 CTSC (0.53) SYKEGFRJAK2JAK1FLT3
SCHEMBL12854371 0.77 CDK6 (0.45) SYKEGFRJAK2CSF1RJAK1
SCHEMBL3494266 0.77 PRKCQ (0.45) SYKEGFRJAK2ITKADORA3
SCHEMBL2571466 0.77 ALK (0.59) SYKFLT3BTKALK
SCHEMBL12854316 0.77 BRD4 (0.49) SYKEGFRJAK2ITKCDC7
SCHEMBL2565353 0.77 BRD4 (0.51) SYKEGFRITKJAK1WEE1

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 6 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-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-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 SYK 2106/4885EGFR 1807/4885JAK2 854/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2304/4885EGFR 1983/4885JAK2 994/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885EGFR 1807/4885JAK2 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.

Send feedback