SCHEMBL4286530

SCHEMBL4286530

CCCNc1ccc(-c2ccnc(Nc3ccc(N4CC5CC4CN5S(C)(=O)=O)c(C)c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
LCK P06239 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCI P41743 2/20 0.41
ZAP70 P43403 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCZ Q05513 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKD1 Q15139 2/20 0.41
ACVR1 Q04771 1/20 0.36
JAK2 O60674 10/20 0.36
JAK3 P52333 7/20 0.36
PAK1 Q13153 1/20 0.36
BTK Q06187 3/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL4290529 1.00 EGFR (0.41) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4281832 0.90 EGFR (0.44) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4282357 0.90 EGFR (0.44) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4284329 0.86 BRD4 (0.39) EGFRJAK2JAK3BRD4CDK9
SCHEMBL4284103 0.86 BRD4 (0.39) EGFRJAK2JAK3BRD4CDK9
SCHEMBL4280962 0.83 STK17A (0.45) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4281898 0.83 STK17A (0.45) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4281774 0.82 EGFR (0.42) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4290703 0.82 EGFR (0.42) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4290594 0.82 EGFR (0.42) EGFRPRKD3PRKCGPRKCBLCK

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
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 WO claimed
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 EGFR 795/4885PRKD3 167/4885PRKCG 488/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 EGFR 494/4885PRKD3 121/4885PRKCG 464/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 EGFR 501/4885PRKD3 107/4885PRKCG 460/4885

“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.