SCHEMBL3622937

SCHEMBL3622937

NC(=O)c1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.80
JAK3 P52333 7/20 0.69
TYK2 P29597 4/20 0.69
JAK1 P23458 4/20 0.69
HDAC3 O15379 1/20 0.66
NCOR1 O75376 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
MAPK8 P45983 2/20 0.64
MAPK10 P53779 2/20 0.64
CAMK2D Q13557 1/20 0.61

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
SCHEMBL2875288 0.89 JAK2 (1.00) JAK2JAK3TYK2JAK1HDAC3
SCHEMBL13590716 0.89 JAK2 (1.00) JAK2JAK3TYK2JAK1HDAC3
Hydrochloric Acid SCHEMBL30221695 0.87 JAK2 (0.96) JAK2JAK3TYK2JAK1HDAC3
SCHEMBL13724670 0.87 JAK2 (0.69) JAK2JAK3TYK2JAK1HDAC3
SCHEMBL12801112 0.85 JAK2 (1.00) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL13725012 0.85 JAK2 (0.67) JAK2JAK3TYK2JAK1HDAC3
SCHEMBL4379023 0.84 JAK2 (0.80) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL2868626 0.84 JAK2 (1.00) JAK2JAK3TYK2JAK1HDAC1
SCHEMBL17287423 0.83 JAK2 (0.75) JAK2JAK3TYK2JAK1HDAC3
SCHEMBL12274500 0.83 CAMK2D (0.81) JAK2JAK3TYK2JAK1MAPK8

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-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-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 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
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885TYK2 6/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK JAK2 1160/4885JAK3 476/4885TYK2 996/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885JAK3 197/4885TYK2 223/4885

“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.