SCHEMBL4277403

SCHEMBL4277403

Cc1cc(Nc2nccc(-c3ccc(N4CC(C)OC(C)C4)nc3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.43
CHRNA7 P36544 4/20 0.42
KCNH2 Q12809 4/20 0.42
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
LCK P06239 2/20 0.40
PRKCA P17252 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCZ Q05513 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKD1 Q15139 2/20 0.40
EGFR P00533 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
BRD4 O60885 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
SCHEMBL4277398 1.00 ZAP70 (0.43) ZAP70CHRNA7KCNH2PRKD3PRKCG
SCHEMBL4279324 1.00 ZAP70 (0.43) ZAP70CHRNA7KCNH2PRKD3PRKCG
SCHEMBL4279327 1.00 ZAP70 (0.43) ZAP70CHRNA7KCNH2PRKD3PRKCG
SCHEMBL4278615 0.89 ZAP70 (0.55) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4282425 0.89 ZAP70 (0.55) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4290659 0.89 ZAP70 (0.55) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4291693 0.89 ZAP70 (0.54) ZAP70CHRNA7KCNH2PRKD3PRKCG
SCHEMBL4276714 0.89 ZAP70 (0.54) ZAP70CHRNA7KCNH2PRKD3PRKCG
SCHEMBL4422212 0.88 STK17A (0.45) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4426176 0.88 STK17A (0.45) ZAP70PRKD3PRKCGPRKCBLCK

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 ZAP70 24/4885CHRNA7 4430/4885KCNH2 2389/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885CHRNA7 4409/4885KCNH2 3103/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885CHRNA7 4368/4885KCNH2 3162/4885

“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.