SCHEMBL1667366

SCHEMBL1667366

COc1cc(N)cc(NC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HTR6 P50406 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PLAU P00749 2/20 0.44

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
SCHEMBL4330573 0.87 KMT2A (0.63) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL10891235 0.86 ALDH1A1 (0.51) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL10007199 0.80 DDX3X (0.43) KMT2ARAB9ASMN1; SMN2HTTPOLB
SCHEMBL4977098 0.80 KMT2A (0.51) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL31118767 0.79 KMT2A (0.44) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL1667284 0.79 KMT2A (0.44) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL17560618 0.79 PLAU (0.46) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL3931955 0.76 KMT2A (0.51) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL3937674 0.76 RAB9A (0.47) KMT2ARAB9ANPC1SMN1; SMN2HTT
SCHEMBL16807344 0.75 HTR6 (0.51) KMT2ARAB9ANPC1SMN1; SMN2POLB

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 4 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-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

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 KMT2A 3692/4885RAB9A 1696/4885NPC1 4327/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB KMT2A 1946/4885RAB9A 2066/4885NPC1 3034/4885

“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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