SCHEMBL4282491

SCHEMBL4282491

CN1CC2CC1CN2c1ccc(Nc2nccc(-c3cnc4[nH]ccc4c3)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.44
KCNH2 Q12809 9/20 0.44
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CCNA1 P78396 5/20 0.41
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PAK1 Q13153 1/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 1/20 0.39
PIM1 P11309 1/20 0.38
CDK4 P11802 1/20 0.38
CCND3 P30281 1/20 0.38
MTOR P42345 1/20 0.38
GSK3B P49841 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
SCHEMBL4279293 1.00 CHRNA7 (0.44) CHRNA7KCNH2CCNA2CDK2CCNA1
SCHEMBL4281600 0.91 CHRNA7 (0.45) CHRNA7KCNH2CCNA2CDK2CCNA1
SCHEMBL4277396 0.91 CHRNA7 (0.45) CHRNA7KCNH2CCNA2CDK2CCNA1
SCHEMBL4281749 0.82 PAK1 (0.44) KCNH2CCNA2CDK2CCNA1PAK1
SCHEMBL4287090 0.82 PAK1 (0.44) KCNH2CCNA2CDK2CCNA1PAK1
SCHEMBL4286149 0.82 PAK1 (0.43) CCNA2CDK2CCNA1PAK1JAK2
SCHEMBL4283682 0.82 PAK1 (0.43) CCNA2CDK2CCNA1PAK1JAK2
SCHEMBL4277140 0.82 JAK2 (0.40) KCNH2CCNA2CDK2CCNA1PAK1
SCHEMBL4286540 0.82 JAK2 (0.40) KCNH2CCNA2CDK2CCNA1PAK1
SCHEMBL4284359 0.81 CDK2 (0.45) CCNA2CDK2CCNA1PAK1JAK2

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 CHRNA7 4430/4885KCNH2 2389/4885CCNA2 308/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4409/4885KCNH2 3103/4885CCNA2 273/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4368/4885KCNH2 3162/4885CCNA2 291/4885

“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.