SCHEMBL4285314

SCHEMBL4285314

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(Cc4ccccc4)nc3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
JAK1 P23458 4/20 0.41
PIM1 P11309 1/20 0.41
CDK4 P11802 1/20 0.41
CCND3 P30281 1/20 0.41
GSK3B P49841 1/20 0.41
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
CCNA1 P78396 4/20 0.40
PAK1 Q13153 1/20 0.40
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
ACVR1 Q04771 1/20 0.39
CDK9 P50750 3/20 0.38
CCNT1 O60563 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
SCHEMBL4282315 1.00 BRD4 (0.42) BRD4JAK2JAK3JAK1PIM1
SCHEMBL4284505 0.91 BRD4 (0.42) BRD4JAK2JAK3JAK1PIM1
SCHEMBL4282471 0.91 BRD4 (0.42) BRD4JAK2JAK3JAK1PIM1
SCHEMBL4285286 0.88 CCNA2 (0.49) BRD4JAK2JAK3JAK1PIM1
SCHEMBL4287090 0.85 PAK1 (0.44) BRD4JAK2JAK3PIM1CDK4
SCHEMBL4281749 0.85 PAK1 (0.44) BRD4JAK2JAK3PIM1CDK4
SCHEMBL4281609 0.83 JAK2 (0.43) BRD4JAK2JAK3JAK1CCNA2
SCHEMBL4290514 0.83 JAK2 (0.43) BRD4JAK2JAK3JAK1CCNA2
SCHEMBL4283469 0.81 JAK2 (0.43) JAK2JAK3CCNA2CDK2CCNA1
SCHEMBL4276996 0.81 JAK2 (0.43) JAK2JAK3CCNA2CDK2CCNA1

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 7 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-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 (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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 251/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 468/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885JAK2 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.