SCHEMBL4281464

SCHEMBL4281464

CC(=O)N1CCN(c2ccc(-c3ccnc(Nc4ccc(N5C[C@@H]6C[C@H]5CN6C)nc4)n3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
ZAP70 P43403 3/20 0.47
BRAF P15056 9/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.45
CHRNA7 P36544 2/20 0.45
KCNH2 Q12809 2/20 0.45
JAK2 O60674 1/20 0.44
AURKA O14965 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
AURKB Q96GD4 1/20 0.44
EGFR P00533 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL4277364 1.00 SYK (0.48) SYKZAP70BRAFEIF2AK3CHRNA7
SCHEMBL4278614 0.89 ZAP70 (0.47) SYKZAP70BRAFEIF2AK3JAK2
SCHEMBL4280983 0.89 ZAP70 (0.46) SYKZAP70BRAFEIF2AK3CDK1
SCHEMBL4290501 0.89 ZAP70 (0.47) SYKZAP70BRAFEIF2AK3JAK2
SCHEMBL4284308 0.89 ZAP70 (0.46) SYKZAP70BRAFEIF2AK3CDK1
SCHEMBL4284072 0.85 CHRNA7 (0.46) CHRNA7KCNH2JAK2
SCHEMBL4278617 0.82 CHRNA7 (0.48) ZAP70CHRNA7KCNH2
SCHEMBL4282062 0.82 CHRNA7 (0.48) ZAP70CHRNA7KCNH2
SCHEMBL4291961 0.80 ZAP70 (0.51) ZAP70CHRNA7KCNH2JAK2CDK4
SCHEMBL4279919 0.80 ZAP70 (0.51) ZAP70CHRNA7KCNH2JAK2CDK4

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 SYK 4857/4885ZAP70 4647/4885BRAF 4861/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 36/4885ZAP70 24/4885BRAF 120/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 39/4885ZAP70 43/4885BRAF 124/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 46/4885ZAP70 49/4885BRAF 118/4885

“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.