SCHEMBL3415212

SCHEMBL3415212

Cc1cc(N=C(N)N)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ HTR3E A5X5Y0 5/20 0.36
▸ HTR3B O95264 5/20 0.36
▸ HTR3A P46098 5/20 0.36
▸ HTR3D Q70Z44 5/20 0.36
▸ HTR3C Q8WXA8 5/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SLC22A3 O75751 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL4277742 0.79 SIRT2 (0.30) CDK4CCND1
SCHEMBL30912434 0.77 MAPT (0.45) CHRNA7KCNH2
SCHEMBL30912529 0.77 MAPT (0.45) CHRNA7KCNH2
SCHEMBL3413859 0.77 MAPT (0.45) CHRNA7KCNH2
SCHEMBL13657915 0.77 MAPT (0.45) CHRNA7KCNH2
SCHEMBL25900470 0.75 CHRNA7 (0.40) CHRNA7KCNH2CDK4CCND1
SCHEMBL4277920 0.74 CHRNA7 (0.34) CHRNA7KCNH2
SCHEMBL13657917 0.74 CHRNA7 (0.34) CHRNA7KCNH2
SCHEMBL15790567 0.70 CHRNA7 (0.51) CHRNA7KCNH2
SCHEMBL3411641 0.69 ALDH1A1 (0.45) —

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 9 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
EP-2265607-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES Rigel Pharmaceuticals, Inc. (US) 2010-12-29 — — EP 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
WO-2009103032-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO 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 CHRNA7 4430/4885KCNH2 2389/4885HTR3E 2436/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4409/4885KCNH2 3103/4885HTR3E 1518/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4368/4885KCNH2 3162/4885HTR3E 1525/4885

“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.

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