SCHEMBL4283103

SCHEMBL4283103

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(NC4CCCCC4)nc3)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
SIK1 P57059 2/20 0.41
SIK2 Q9H0K1 2/20 0.41
SIK3 Q9Y2K2 2/20 0.41
CDC7 O00311 2/20 0.40
WEE1 P30291 1/20 0.40
CDK2 P24941 4/20 0.39
CDK1 P06493 1/20 0.39
AURKB Q96GD4 2/20 0.39
PAK1 Q13153 1/20 0.39
CCNA2 P20248 3/20 0.39
CCNA1 P78396 3/20 0.39
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL4277011 1.00 CDK9 (0.44) CDK9JAK2JAK3SIK1SIK2
SCHEMBL4276158 0.91 CDK9 (0.45) CDK9JAK2CDC7WEE1CDK2
SCHEMBL4279711 0.91 CDK9 (0.45) CDK9JAK2CDC7WEE1CDK2
SCHEMBL4277307 0.90 CCNA2 (0.48) CDK9JAK2JAK3CDK2CCNA2
SCHEMBL4281143 0.90 CCNA2 (0.48) CDK9JAK2JAK3CDK2CCNA2
SCHEMBL4283469 0.86 JAK2 (0.43) JAK2JAK3CDK2PAK1CCNA2
SCHEMBL4276996 0.86 JAK2 (0.43) JAK2JAK3CDK2PAK1CCNA2
SCHEMBL4285286 0.83 CCNA2 (0.49) JAK2JAK3CDK2PAK1CCNA2
SCHEMBL4281749 0.83 PAK1 (0.44) CDK9JAK2JAK3CDC7CDK2
SCHEMBL4287090 0.83 PAK1 (0.44) CDK9JAK2JAK3CDC7CDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 CDK9 1899/4885JAK2 4729/4885JAK3 4792/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK9 59/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK9 15/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK9 14/4885JAK2 1/4885JAK3 3/4885

“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.