SCHEMBL3754476

SCHEMBL3754476

CCN1CCN(c2ncn(-c3ccc(Nc4nccc(-c5ccc6c(c5)OCO6)n4)cc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.56
DYRK1A Q13627 5/20 0.56
CLK4 Q9HAZ1 5/20 0.56
DYRK1B Q9Y463 5/20 0.56
CLK2 P49760 4/20 0.56
MAPK10 P53779 10/20 0.54
MAPK8 P45983 8/20 0.54
MAPK9 P45984 3/20 0.54
STK17A Q9UEE5 1/20 0.44
ZAP70 P43403 1/20 0.44
JAK2 O60674 2/20 0.44
CDK2 P24941 1/20 0.43
CLK3 P49761 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
JUN P05412 2/20 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
SCHEMBL3753237 0.82 CLK1 (0.66) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL3753221 0.82 MAPK10 (0.73) MAPK10MAPK8MAPK9JAK2JUN
SCHEMBL3754607 0.79 MAPK10 (0.86) MAPK10MAPK8MAPK9JAK2
SCHEMBL3750394 0.78 CLK1 (0.62) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL3746032 0.78 MAPK10 (0.76) CLK1MAPK10MAPK8MAPK9JAK2
SCHEMBL3753589 0.78 MAPK10 (0.70) MAPK10MAPK8MAPK9JAK2
SCHEMBL8052311 0.77 MAPK10 (0.58) MAPK10MAPK8MAPK9STK17AJAK2
SCHEMBL3753229 0.75 CLK1 (0.69) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL16404646 0.74 CLK4 (0.81) CLK1DYRK1ACLK4DYRK1BCLK2
SCHEMBL3753054 0.73 CLK1 (0.66) CLK1DYRK1ACLK4DYRK1BCLK2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CLK1 452/4885DYRK1A 580/4885CLK4 547/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CLK1 452/4885DYRK1A 580/4885CLK4 547/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CLK1 452/4885DYRK1A 580/4885CLK4 547/4885

“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.