SCHEMBL1667641

SCHEMBL1667641

CC(C)Oc1ccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.56
JAK3 P52333 2/20 0.56
TBK1 Q9UHD2 8/20 0.55
STK17A Q9UEE5 1/20 0.54
CDK2 P24941 3/20 0.53
CDK4 P11802 1/20 0.53
GSK3B P49841 1/20 0.53
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
BRD4 O60885 1/20 0.49
CCNA2 P20248 1/20 0.49
CCNA1 P78396 1/20 0.49
CCNE1 P24864 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL1667419 0.91 JAK2 (0.65) JAK2JAK3TBK1CDK2HDAC1
SCHEMBL12275193 0.90 JAK2 (0.59) JAK2JAK3TBK1STK17ACDK2
SCHEMBL12274576 0.84 TBK1 (0.77) JAK2TBK1
SCHEMBL12275973 0.82 TBK1 (0.65) JAK2TBK1
SCHEMBL12274966 0.82 JAK2 (0.59) JAK2JAK3TBK1CDK2HDAC1
SCHEMBL1667257 0.81 JAK2 (0.52) JAK2JAK3TBK1CDK2HDAC1
SCHEMBL12521743 0.81 JAK2 (0.61) JAK2JAK3TBK1CDK2HDAC1
SCHEMBL12275649 0.81 JAK2 (0.72) JAK2JAK3TBK1CDK2HDAC1
SCHEMBL1667977 0.81 JAK2 (0.62) JAK2JAK3TBK1CDK2HDAC1
SCHEMBL12274435 0.81 JAK2 (0.59) JAK2JAK3TBK1CDK2HDAC1

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-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US claimed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO claimed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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 (2 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK JAK2 1160/4885JAK3 476/4885TBK1 1/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885JAK3 197/4885TBK1 1/4885

“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.