SCHEMBL4276763

SCHEMBL4276763

Cc1cc(Nc2nccc(-c3ccc(N4CCSCC4)nc3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.46
EGFR P00533 3/20 0.44
PRKD3 O94806 2/20 0.44
PRKCG P05129 2/20 0.44
PRKCB P05771 2/20 0.44
LCK P06239 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCH P24723 2/20 0.44
PRKCI P41743 2/20 0.44
PRKCE Q02156 2/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCZ Q05513 2/20 0.44
PRKCD Q05655 2/20 0.44
PRKD1 Q15139 2/20 0.44
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CHRNA7 P36544 3/20 0.41
KCNH2 Q12809 3/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL4288818 1.00 ZAP70 (0.46) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4276714 0.92 ZAP70 (0.54) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4291693 0.92 ZAP70 (0.54) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4278615 0.91 ZAP70 (0.55) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4282425 0.91 ZAP70 (0.55) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4290659 0.91 ZAP70 (0.55) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4282077 0.88 ZAP70 (0.53) ZAP70JAK2JAK3CDK2
SCHEMBL4279939 0.88 ZAP70 (0.53) ZAP70JAK2JAK3CDK2
SCHEMBL4279324 0.87 ZAP70 (0.43) ZAP70EGFRPRKD3PRKCGPRKCB
SCHEMBL4277403 0.87 ZAP70 (0.43) ZAP70EGFRPRKD3PRKCGPRKCB

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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 ZAP70 24/4885EGFR 795/4885PRKD3 167/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885EGFR 494/4885PRKD3 121/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885EGFR 501/4885PRKD3 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.