SCHEMBL2564348

SCHEMBL2564348

CN1CCN(c2cccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.64
CTSC P53634 1/20 0.53
CDK2 P24941 5/20 0.50
CCNT1 O60563 4/20 0.50
CDK9 P50750 4/20 0.50
CCNE1 P24864 2/20 0.50
BRD4 O60885 2/20 0.49
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
CDK1 P06493 3/20 0.47
CDK7 P50613 3/20 0.47
CCNB1 P14635 2/20 0.47
CCNA2 P20248 2/20 0.47
CCNH P51946 2/20 0.47
NTRK1 P04629 2/20 0.47
NTRK3 Q16288 2/20 0.47
NTRK2 Q16620 2/20 0.47
EGFR P00533 3/20 0.47
FLT3 P36888 3/20 0.46
BTK Q06187 3/20 0.46

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
Hydrochloric Acid SCHEMBL15388424 0.99 SYK (0.63) SYKCTSCCDK2CCNT1CDK9
SCHEMBL12854379 0.91 JAK1 (0.56) SYKCTSCBRD4JAK2JAK1
SCHEMBL2567887 0.91 SYK (0.65) SYKCTSCCDK2CCNT1CDK9
SCHEMBL2565362 0.90 SYK (0.57) SYKCTSCBRD4EGFRFLT3
SCHEMBL12854291 0.90 SYK (0.52) SYKCTSCBRD4JAK2JAK1
SCHEMBL12854404 0.89 CTSC (0.53) SYKCTSCCDK2CDK9BRD4
SCHEMBL12854286 0.89 SYK (0.59) SYKCTSCCDK2CDK9BRD4
SCHEMBL12854368 0.88 SYK (0.53) SYKCTSCCDK2CDK9BRD4
SCHEMBL12854325 0.88 CTSC (0.54) SYKCTSCCDK2BRD4JAK2
SCHEMBL2565552 0.88 SYK (0.65) SYKCDK2CCNT1CDK9CCNE1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US claimed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 US claimed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US claimed
EP-2382210-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2011-11-02 EP claimed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US claimed
WO-2010078369-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
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-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
EP-2382210-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2011-11-02 EP 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
WO-2010078369-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-08 WO 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 2106/4885CTSC 2302/4885CDK2 19/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2304/4885CTSC 2069/4885CDK2 18/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885CTSC 2302/4885CDK2 19/4885

“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.