SCHEMBL2565012

SCHEMBL2565012

CN1CCN(c2cccc(Nc3ncc(F)c(Nc4ccc5c(c4)NCCO5)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.55
CDK2 P24941 4/20 0.55
CDK9 P50750 4/20 0.55
CCNE1 P24864 2/20 0.55
BRD4 O60885 6/20 0.54
EGFR P00533 2/20 0.53
CTSC P53634 1/20 0.51
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
SYK P43405 3/20 0.50
JAK3 P52333 1/20 0.50
ITK Q08881 1/20 0.50
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
NTRK1 P04629 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49

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
SCHEMBL2566155 0.87 CCNT1 (0.54) CCNT1CDK2CDK9CCNE1BRD4
Hydrochloric Acid SCHEMBL14482069 0.86 CCNT1 (0.53) CCNT1CDK2CDK9CCNE1BRD4
SCHEMBL12854308 0.85 SYK (0.71) CCNT1CDK2CDK9CCNE1BRD4
SCHEMBL12519555 0.82 SYK (0.65) EGFRSYKITK
SCHEMBL13498447 0.80 EGFR (0.56) EGFRSYKITK
SCHEMBL14551117 0.79 PRKCQ (0.42) CCNT1CDK2CDK9CCNE1BRD4
SCHEMBL14482337 0.79 JAK2 (0.49) CCNT1CDK2CDK9CCNE1BRD4
SCHEMBL2745650 0.78 SYK (0.56) EGFRSYKITK
SCHEMBL2560511 0.78 EGFR (0.55) CDK2CDK9BRD4EGFRCTSC
SCHEMBL12854318 0.78 SYK (0.72) CCNT1CDK2CDK9CCNE1EGFR

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 CCNT1 474/4885CDK2 19/4885CDK9 21/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CCNT1 361/4885CDK2 18/4885CDK9 25/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CCNT1 474/4885CDK2 19/4885CDK9 21/4885

“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.