SCHEMBL4975833

SCHEMBL4975833

Cc1cc(Br)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.52
MAPT P10636 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DHODH Q02127 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LCK P06239 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL31167627 1.00 AAK1 (0.52) AAK1MAPTNPC1RAB9AMEN1
SCHEMBL456674 0.88 AAK1 (0.49) AAK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29991534 0.88 AAK1 (0.49) AAK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1519234 0.87 AAK1 (0.49) AAK1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30175900 0.87 AAK1 (0.49) AAK1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8297312 0.85 SMN1; SMN2 (0.63) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10006006 0.85 AAK1 (0.46) AAK1NPC1RAB9ASMN1; SMN2LCK
SCHEMBL13514632 0.84 AAK1 (0.47) AAK1MAPTNPC1RAB9AGAA
SCHEMBL24638289 0.84 AAK1 (0.54) AAK1MAPTNPC1RAB9AMEN1
SCHEMBL30048937 0.84 AAK1 (0.54) AAK1MAPTNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025887-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-01-25 US disclosed
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-04-22 US disclosed
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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 (5 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-20240025887-A1 THIENYL AND CYCLOALKYL AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, PNKP AAK1 201/4885MAPT 1981/4885NPC1 1642/4885
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 AAK1 3968/4885MAPT 1115/4885NPC1 118/4885
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT AAK1 2317/4885MAPT 4819/4885NPC1 2588/4885
US-20210115016-A1 AMIDO COMPOUNDS AS AhR MODULATORS AHR, ARNT, RXRB AAK1 2874/4885MAPT 4185/4885NPC1 1754/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB AAK1 2874/4885MAPT 4185/4885NPC1 1754/4885

“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.