SCHEMBL12275705

SCHEMBL12275705

Fc1cccc(-c2ccnc(Nc3cccc(Cl)c3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 7/20 0.73
ABL1 P00519 1/20 0.71
BCR P11274 1/20 0.71
PRKCA P17252 1/20 0.71
PRKCD Q05655 1/20 0.71
PLK1 P53350 1/20 0.68
CSNK2A1 P68400 2/20 0.60
CDK2 P24941 6/20 0.58
CDK4 P11802 3/20 0.58
CDK1 P06493 2/20 0.58
SMG1 Q96Q15 2/20 0.58
MAPT P10636 2/20 0.58
CCNA2 P20248 2/20 0.58
NPC1 O15118 1/20 0.58
CCNT1 O60563 1/20 0.58
CCNB1 P14635 1/20 0.58
XBP1 P17861 1/20 0.58
CCND1 P24385 1/20 0.58
CCNE1 P24864 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL12801709 0.85 CAMK2D (1.00) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL3513778 0.84 CAMK2D (0.73) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL14651462 0.84 PLK1 (0.84) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL5733933 0.83 CAMK2D (0.71) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL6254782 0.83 ABL1 (1.00) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL4899574 0.83 ABL1 (0.76) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL4732256 0.82 PLK1 (0.59) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL4905928 0.82 PLK1 (0.72) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL2328157 0.82 CAMK2D (0.70) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL5732902 0.82 CAMK2D (0.77) CAMK2DABL1BCRPRKCAPRKCD

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 5 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-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 CAMK2D 1049/4885ABL1 2170/4885BCR 3807/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB CAMK2D 400/4885ABL1 538/4885BCR 2523/4885

“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.