SCHEMBL4286567

SCHEMBL4286567

CN1CC2CC1CN2c1ccc(Nc2nccc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.48
JAK3 P52333 3/20 0.48
MKNK1 Q9BUB5 1/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 1/20 0.43
EGFR P00533 4/20 0.43
ZAP70 P43403 2/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
LCK P06239 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
PLK1 P53350 1/20 0.42

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
SCHEMBL4291701 1.00 JAK2 (0.48) JAK2JAK3MKNK1ABL1BCR
SCHEMBL4277083 0.89 JAK2 (0.47) JAK2JAK3MKNK1ABL1BCR
SCHEMBL4284529 0.89 JAK2 (0.47) JAK2JAK3MKNK1ABL1BCR
SCHEMBL4279801 0.89 JAK2 (0.51) JAK2JAK3ABL1BCREGFR
SCHEMBL4280982 0.89 JAK2 (0.51) JAK2JAK3ABL1BCREGFR
SCHEMBL4279761 0.85 ZAP70 (0.57) JAK2JAK3EGFRZAP70PRKD3
SCHEMBL4277479 0.85 ZAP70 (0.57) JAK2JAK3EGFRZAP70PRKD3
SCHEMBL4278706 0.85 ZAP70 (0.57) JAK2JAK3EGFRZAP70PRKD3
SCHEMBL4284722 0.85 JAK2 (0.51) JAK2JAK3EGFRZAP70
SCHEMBL4279938 0.85 JAK2 (0.51) JAK2JAK3EGFRZAP70

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 JAK2 1/4885JAK3 3/4885MKNK1 246/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MKNK1 255/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885MKNK1 253/4885

“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.