SCHEMBL1667462

SCHEMBL1667462

N#Cc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(CO)c3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 4/20 0.65
▸ JAK2 O60674 10/20 0.56
▸ JAK3 P52333 5/20 0.55
▸ JAK1 P23458 2/20 0.55
▸ KCNH2 Q12809 1/20 0.53
▸ TNIK Q9UKE5 1/20 0.53
▸ CAMK2D Q13557 1/20 0.51
▸ BRD4 O60885 1/20 0.50
▸ MAPK8 P45983 2/20 0.49
▸ MAPK10 P53779 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ TYK2 P29597 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
SCHEMBL11962934 0.87 SMG1 (0.68) SMG1JAK2JAK3JAK1KCNH2
SCHEMBL12921700 0.85 JAK2 (0.56) SMG1JAK2JAK3JAK1CAMK2D
SCHEMBL1667134 0.84 JAK2 (0.77) SMG1JAK2JAK3JAK1CAMK2D
SCHEMBL30051959 0.84 JAK2 (0.77) SMG1JAK2JAK3JAK1CAMK2D
SCHEMBL12921641 0.83 JAK2 (0.55) SMG1JAK2JAK3JAK1CAMK2D
SCHEMBL1670895 0.81 SMG1 (0.51) SMG1JAK2JAK3JAK1KCNH2
SCHEMBL1670901 0.81 SMG1 (0.51) SMG1JAK2JAK3JAK1KCNH2
SCHEMBL12921615 0.80 SMG1 (0.50) SMG1JAK2JAK3JAK1KCNH2
SCHEMBL1670898 0.80 SMG1 (0.50) SMG1JAK2JAK3JAK1KCNH2
SCHEMBL12275374 0.79 SMG1 (0.57) SMG1JAK2JAK3JAK1CAMK2D

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
CN-102791697-A Amino-pyrimidine compounds as inhibitors of TBKL and/or IKK epsilon MYREXIS INC 2012-11-21 — — CN claimed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — US claimed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 — — EP 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-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 — — US disclosed
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
CN-102791697-A Amino-pyrimidine compounds as inhibitors of TBKL and/or IKK epsilon MYREXIS INC 2012-11-21 — — CN disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — US disclosed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 — — EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 — — WO disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 — — US disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 — — 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-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 SMG1 2205/4885JAK2 372/4885JAK3 462/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK SMG1 59/4885JAK2 1160/4885JAK3 476/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB SMG1 305/4885JAK2 458/4885JAK3 197/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 SMG1 2205/4885JAK2 372/4885JAK3 462/4885

“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.

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