SCHEMBL4276576

SCHEMBL4276576

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.56
JAK2 O60674 18/20 0.56
JAK3 P52333 10/20 0.56
JAK1 P23458 4/20 0.53
TYK2 P29597 3/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
NCOR1 O75376 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BMPR1B O00238 1/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50
OPA1 O60313 1/20 0.50
ROCK2 O75116 1/20 0.50
STK16 O75716 1/20 0.50
PRKD3 O94806 1/20 0.50
CSNK2A2 P19784 1/20 0.50

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
SCHEMBL4277001 1.00 ZAP70 (0.56) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4288781 0.90 JAK2 (0.54) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4286591 0.90 JAK2 (0.54) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4290659 0.89 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4282425 0.89 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4278615 0.89 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4279761 0.88 ZAP70 (0.57) ZAP70JAK2JAK3PRKD3CDK2
SCHEMBL4277890 0.88 ZAP70 (0.55) ZAP70JAK2JAK3JAK1TYK2
SCHEMBL4278706 0.88 ZAP70 (0.57) ZAP70JAK2JAK3PRKD3CDK2
SCHEMBL4277479 0.88 ZAP70 (0.57) ZAP70JAK2JAK3PRKD3CDK2

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 24/4885JAK2 1/4885JAK3 3/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885JAK2 1/4885JAK3 3/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885JAK2 1/4885JAK3 3/4885

“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.