SCHEMBL1333872

SCHEMBL1333872

Brc1ccc2[nH]c(Nc3ccccc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
AKR1C3 P42330 1/20 0.50
RIPK1 Q13546 1/20 0.50
PIM1 P11309 1/20 0.48
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 1/20 0.46
CSNK1G2 P78368 1/20 0.46
ALK Q9UM73 1/20 0.46
DDX3X O00571 1/20 0.45
ADRB2 P07550 1/20 0.44
TDP2 O95551 1/20 0.43
CDC25B P30305 1/20 0.43
CASP6 P55212 1/20 0.43
PPP1CA P62136 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL9718873 0.84 MEN1 (0.58) MEN1KMT2AAKR1C3RIPK1CSNK1A1
SCHEMBL20685321 0.81 MTOR (0.46) MEN1KMT2ACSNK1A1CSNK1DGSK3B
SCHEMBL20685494 0.81 MEN1 (0.46) MEN1KMT2ACSNK1A1CSNK1DGSK3B
SCHEMBL28837680 0.81 POLB (0.56) MEN1KMT2AAKR1C3RIPK1CSNK1A1
SCHEMBL1663100 0.81 MEN1 (0.68) MEN1KMT2AAKR1C3RIPK1PIM1
SCHEMBL14881698 0.81 MEN1 (0.71) MEN1KMT2AAKR1C3PIM1CSNK1A1
SCHEMBL30020996 0.80 MEN1 (0.75) MEN1KMT2AAKR1C3RIPK1DDX3X
SCHEMBL239690 0.80 MEN1 (0.75) MEN1KMT2AAKR1C3RIPK1DDX3X
SCHEMBL13058909 0.79 KMT2A (0.53) MEN1KMT2AAKR1C3DDX3XHDAC6
SCHEMBL2893147 0.79 MEN1 (0.60) MEN1KMT2APIM1CSNK1A1CSNK1D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890952-B Preparation method of 5-halogeno-2-aminobenzoazacyclic compound 重庆医科大学 2023-06-06 CN disclosed
CN-114890952-A Preparation method of 5-halogenated-2-aminobenzene nitrogen heterocyclic compound 重庆医科大学 2022-08-12 CN disclosed
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20060287370-A1 Isoindolinone kinase inhibitors CURTIN MICHAEL L 2006-12-21 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 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 (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-20060287370-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 MEN1 3281/4885KMT2A 1125/4885AKR1C3 3570/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 MEN1 3281/4885KMT2A 1125/4885AKR1C3 3570/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 MEN1 3281/4885KMT2A 1125/4885AKR1C3 3570/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 MEN1 3486/4885KMT2A 1051/4885AKR1C3 3083/4885

“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.