SCHEMBL4286262

SCHEMBL4286262

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc(N4CCOCC4)cn3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.47
JAK3 P52333 3/20 0.47
ZAP70 P43403 1/20 0.44
EGFR P00533 2/20 0.42
SMG1 Q96Q15 8/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
CHRNA7 P36544 4/20 0.41
KCNH2 Q12809 4/20 0.41
MTOR P42345 2/20 0.41
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL4277860 1.00 JAK2 (0.47) JAK2JAK3ZAP70EGFRSMG1
SCHEMBL4279469 0.91 SMG1 (0.45) JAK2JAK3ZAP70SMG1CDK1
SCHEMBL4286030 0.91 SMG1 (0.45) JAK2JAK3ZAP70SMG1CDK1
SCHEMBL4278706 0.90 ZAP70 (0.57) JAK2JAK3ZAP70EGFRSMG1
SCHEMBL4277479 0.90 ZAP70 (0.57) JAK2JAK3ZAP70EGFRSMG1
SCHEMBL4279761 0.90 ZAP70 (0.57) JAK2JAK3ZAP70EGFRSMG1
SCHEMBL4279906 0.88 ZAP70 (0.45) JAK2JAK3ZAP70SMG1CDK1
SCHEMBL4285136 0.88 ZAP70 (0.45) JAK2JAK3ZAP70SMG1CDK1
SCHEMBL4291730 0.87 GALR2 (0.42) JAK2JAK3ZAP70CDK1CDK2
SCHEMBL4280598 0.87 GALR2 (0.42) JAK2JAK3ZAP70CDK1CDK2

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 JAK2 4729/4885JAK3 4792/4885ZAP70 4647/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ZAP70 24/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ZAP70 43/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ZAP70 49/4885

“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.