SCHEMBL4284308

SCHEMBL4284308

CC(=O)N1CCN(c2ccc(-c3ccnc(Nc4cnc(N5CC6CC5CN6C)c(C)c4)n3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.46
BRAF P15056 9/20 0.43
PRKD3 O94806 1/20 0.43
EGFR P00533 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
EIF2AK3 Q9NZJ5 1/20 0.43
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
FLT3 P36888 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL4280983 1.00 ZAP70 (0.46) ZAP70BRAFPRKD3EGFRPRKCG
SCHEMBL4281464 0.89 SYK (0.48) ZAP70BRAFEGFREIF2AK3CDK1
SCHEMBL4277364 0.89 SYK (0.48) ZAP70BRAFEGFREIF2AK3CDK1
SCHEMBL4282084 0.89 ZAP70 (0.55) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL4279788 0.89 ZAP70 (0.55) ZAP70PRKD3EGFRPRKCGPRKCB
SCHEMBL4278614 0.85 ZAP70 (0.47) ZAP70BRAFPRKD3EGFRPRKCG
SCHEMBL4290501 0.85 ZAP70 (0.47) ZAP70BRAFPRKD3EGFRPRKCG
SCHEMBL4279789 0.84 JAK2 (0.42)
SCHEMBL4287078 0.84 JAK2 (0.42)
SCHEMBL4278805 0.82 JAK2 (0.40) ZAP70EGFR

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 6 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-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 (2 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 ZAP70 24/4885BRAF 120/4885PRKD3 167/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885BRAF 118/4885PRKD3 107/4885

“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.