SCHEMBL4282084

SCHEMBL4282084

Cc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cnc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.55
SMG1 Q96Q15 7/20 0.47
CDK1 P06493 3/20 0.47
CDK2 P24941 3/20 0.47
MTOR P42345 2/20 0.46
PRKD3 O94806 1/20 0.45
EGFR P00533 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
LCK P06239 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45
JAK2 O60674 4/20 0.45
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4279788 1.00 ZAP70 (0.55) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4283095 0.91 JAK2 (0.49) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4280851 0.91 JAK2 (0.49) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4278615 0.90 ZAP70 (0.55) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4282425 0.90 ZAP70 (0.55) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4290659 0.90 ZAP70 (0.55) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4280983 0.89 ZAP70 (0.46) ZAP70CDK1PRKD3EGFRPRKCG
SCHEMBL4284308 0.89 ZAP70 (0.46) ZAP70CDK1PRKD3EGFRPRKCG
SCHEMBL4277855 0.88 JAK2 (0.49) ZAP70SMG1CDK1CDK2MTOR
SCHEMBL4278682 0.88 JAK2 (0.49) ZAP70SMG1CDK1CDK2MTOR

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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 ZAP70 4647/4885SMG1 551/4885CDK1 1904/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 24/4885SMG1 565/4885CDK1 32/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 43/4885SMG1 527/4885CDK1 13/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ZAP70 49/4885SMG1 490/4885CDK1 13/4885

“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.